2-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine

C20H27N5O — CID 112901131

IUPAC2-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine
SMILESCC1CCCN(c2nccc(Nc3ccccc3N3CCOCC3)n2)C1
InChIInChI=1S/C20H27N5O/c1-16-5-4-10-25(15-16)20-21-9-8-19(23-20)22-17-6-2-3-7-18(17)24-11-13-26-14-12-24/h2-3,6-9,16H,4-5,10-15H2,1H3,(H,21,22,23)
InChIKeySCDSXICIOZZHCK-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.29
Rot. Bonds4

About 2-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine

2-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine (PubChem CID 112901131) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine
PubChem CID112901131
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name2-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine
SMILESCC1CCCN(c2nccc(Nc3ccccc3N3CCOCC3)n2)C1
InChIInChI=1S/C20H27N5O/c1-16-5-4-10-25(15-16)20-21-9-8-19(23-20)22-17-6-2-3-7-18(17)24-11-13-26-14-12-24/h2-3,6-9,16H,4-5,10-15H2,1H3,(H,21,22,23)
InChIKeySCDSXICIOZZHCK-UHFFFAOYSA-N
XLogP3.29
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-morpholin-4-yl-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 112886633
2-N-cyclohexyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112885027
4-N-(2-morpholin-4-ylphenyl)-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112882201
2-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidin-4-amine
CID 112901130
2-N-tert-butyl-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112899832
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112901152
2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112906210
2-[(2-morpholin-4-ylpyrimidin-4-yl)amino]benzoic acid
CID 698340
N-butan-2-yl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112883550
2-morpholin-4-yl-N-(2-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 112886621
4-methyl-2-(3-methylpiperidin-1-yl)pyrimidine
CID 89079553
N',N'-dimethyl-N-[2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]ethane-1,2-diamine
CID 66903521

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine?
The IUPAC name of 2-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine (CID 112901131) is 2-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine is CC1CCCN(c2nccc(Nc3ccccc3N3CCOCC3)n2)C1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine?
The InChIKey is SCDSXICIOZZHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-16-5-4-10-25(15-16)20-21-9-8-19(23-20)22-17-6-2-3-7-18(17)24-11-13-26-14-12-24/h2-3,6-9,16H,4-5,10-15H2,1H3,(H,21,22,23).
What are the key properties of 2-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine?
2-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine has a molecular weight of 353.47 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 112901131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).