4-[4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]amino]-6-methoxynaphthalen-2-yl]-N-methylpyrimidin-2-amine

C26H28ClN7O — CID 53258284

IUPAC4-[4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]amino]-6-methoxynaphthalen-2-yl]-N-methylpyrimidin-2-amine
SMILESCNc1nccc(-c2cc(NC3CCN(c4cc(Cl)nc(C)n4)CC3)c3cc(OC)ccc3c2)n1
InChIInChI=1S/C26H28ClN7O/c1-16-30-24(27)15-25(31-16)34-10-7-19(8-11-34)32-23-13-18(22-6-9-29-26(28-2)33-22)12-17-4-5-20(35-3)14-21(17)23/h4-6,9,12-15,19,32H,7-8,10-11H2,1-3H3,(H,28,29,33)
InChIKeyKLLLQVZKYKDBFG-UHFFFAOYSA-N
MW490.01 g/mol
LogP5.18
Rot. Bonds6

About 4-[4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]amino]-6-methoxynaphthalen-2-yl]-N-methylpyrimidin-2-amine

4-[4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]amino]-6-methoxynaphthalen-2-yl]-N-methylpyrimidin-2-amine (PubChem CID 53258284) has the molecular formula C26H28ClN7O and a molecular weight of 490.01 g/mol. Its IUPAC name is 4-[4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]amino]-6-methoxynaphthalen-2-yl]-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]amino]-6-methoxynaphthalen-2-yl]-N-methylpyrimidin-2-amine
PubChem CID53258284
Molecular FormulaC26H28ClN7O
Molecular Weight490.01 g/mol
Exact Mass489.20
IUPAC Name4-[4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]amino]-6-methoxynaphthalen-2-yl]-N-methylpyrimidin-2-amine
SMILESCNc1nccc(-c2cc(NC3CCN(c4cc(Cl)nc(C)n4)CC3)c3cc(OC)ccc3c2)n1
InChIInChI=1S/C26H28ClN7O/c1-16-30-24(27)15-25(31-16)34-10-7-19(8-11-34)32-23-13-18(22-6-9-29-26(28-2)33-22)12-17-4-5-20(35-3)14-21(17)23/h4-6,9,12-15,19,32H,7-8,10-11H2,1-3H3,(H,28,29,33)
InChIKeyKLLLQVZKYKDBFG-UHFFFAOYSA-N
XLogP5.18
TPSA88.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.01
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]amino]-6-methoxynaphthalen-2-yl]-N-methylpyrimidin-2-amine with MolForge

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Launch Full Analysis

Related Compounds

3-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]pyrrolidine-1-carboxylic acid
CID 123573558
methyl 2-[4-[[3-(2-ethylpyrimidin-4-yl)-7-methoxynaphthalen-1-yl]amino]piperidin-1-yl]-6-methylpyrimidine-4-carboxylate
CID 58336435
tert-butyl N-[3-[2-[(1-benzylpiperidin-4-yl)amino]pyrimidin-4-yl]-7-methoxynaphthalen-1-yl]carbamate
CID 53257822
4-(6-methoxynaphthalen-2-yl)-N-methylpyrimidin-2-amine
CID 116900581
2-[(3-hydroxy-2,2-dimethylpropyl)amino]-N-[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]acetamide
CID 53258879
2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]-N-(3-morpholin-4-ylpropyl)acetamide
CID 67493734
N-(2-hydroxyethyl)-2-[[7-methoxy-3-[2-(methylamino)pyrimidin-4-yl]naphthalen-1-yl]amino]acetamide
CID 53257948
N-(1-benzylpiperidin-4-yl)-4-(6-methoxy-4-piperazin-1-ylnaphthalen-2-yl)pyrimidin-2-amine;4-(6-methoxy-4-piperazin-1-ylnaphthalen-2-yl)-N-(1-methylpiperidin-4-yl)pyrimidin-2-amine
CID 159397738
2-chloro-N-[7-methoxy-3-(2-methylpyrimidin-4-yl)naphthalen-1-yl]acetamide
CID 123395128
4-(4-methoxyphenyl)-N-(1-methoxypiperidin-4-yl)pyrimidin-2-amine
CID 167788437
2-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]amino]benzonitrile
CID 126841981
N-[(4-methoxyphenyl)methyl]-4-(6-methoxy-4-piperazin-1-ylnaphthalen-2-yl)pyrimidin-2-amine
CID 67308057

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]amino]-6-methoxynaphthalen-2-yl]-N-methylpyrimidin-2-amine?
The IUPAC name of 4-[4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]amino]-6-methoxynaphthalen-2-yl]-N-methylpyrimidin-2-amine (CID 53258284) is 4-[4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]amino]-6-methoxynaphthalen-2-yl]-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]amino]-6-methoxynaphthalen-2-yl]-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-[4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]amino]-6-methoxynaphthalen-2-yl]-N-methylpyrimidin-2-amine is CNc1nccc(-c2cc(NC3CCN(c4cc(Cl)nc(C)n4)CC3)c3cc(OC)ccc3c2)n1.
What is the InChIKey of 4-[4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]amino]-6-methoxynaphthalen-2-yl]-N-methylpyrimidin-2-amine?
The InChIKey is KLLLQVZKYKDBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN7O/c1-16-30-24(27)15-25(31-16)34-10-7-19(8-11-34)32-23-13-18(22-6-9-29-26(28-2)33-22)12-17-4-5-20(35-3)14-21(17)23/h4-6,9,12-15,19,32H,7-8,10-11H2,1-3H3,(H,28,29,33).
What are the key properties of 4-[4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]amino]-6-methoxynaphthalen-2-yl]-N-methylpyrimidin-2-amine?
4-[4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]amino]-6-methoxynaphthalen-2-yl]-N-methylpyrimidin-2-amine has a molecular weight of 490.01 g/mol, XLogP of 5.18, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-4-yl]amino]-6-methoxynaphthalen-2-yl]-N-methylpyrimidin-2-amine is sourced from PubChem (CID 53258284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).