4-methyl-6-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine

C17H24N8O — CID 154838178

IUPAC4-methyl-6-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)nc(N)n1
InChIInChI=1S/C17H24N8O/c1-13-10-16(22-17(18)21-13)24-4-2-23(3-5-24)14-11-15(20-12-19-14)25-6-8-26-9-7-25/h10-12H,2-9H2,1H3,(H2,18,21,22)
InChIKeyOXGJRGYKFJXCJJ-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.32
Rot. Bonds3

About 4-methyl-6-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine

4-methyl-6-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine (PubChem CID 154838178) has the molecular formula C17H24N8O and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-methyl-6-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine
PubChem CID154838178
Molecular FormulaC17H24N8O
Molecular Weight356.43 g/mol
Exact Mass356.21
IUPAC Name4-methyl-6-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)nc(N)n1
InChIInChI=1S/C17H24N8O/c1-13-10-16(22-17(18)21-13)24-4-2-23(3-5-24)14-11-15(20-12-19-14)25-6-8-26-9-7-25/h10-12H,2-9H2,1H3,(H2,18,21,22)
InChIKeyOXGJRGYKFJXCJJ-UHFFFAOYSA-N
XLogP0.32
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-[6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 146079760
4-[6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 146078312
4-(6,6-dimethyl-1,4-oxazepan-4-yl)-6-methylpyrimidin-2-amine
CID 143641707
4-(azocan-1-yl)-6-methylpyrimidin-2-amine
CID 11521403
4-[4-methyl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 154883448
4-N-methyl-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 80767642
4-[2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 146074348
4-(6-morpholin-4-ylpyrimidin-4-yl)piperazine-1-carbaldehyde
CID 112857021
4-(1,1-dioxo-1,4-thiazinan-4-yl)-6-methylpyrimidin-2-amine
CID 78928279
1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-ol
CID 112724371
4-(2-ethylmorpholin-4-yl)-6-methylpyrimidin-2-amine
CID 112726117
4-methyl-6-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pyrimidin-2-amine
CID 103850288

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine (CID 154838178) is 4-methyl-6-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine is Cc1cc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)nc(N)n1.
What is the InChIKey of 4-methyl-6-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is OXGJRGYKFJXCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N8O/c1-13-10-16(22-17(18)21-13)24-4-2-23(3-5-24)14-11-15(20-12-19-14)25-6-8-26-9-7-25/h10-12H,2-9H2,1H3,(H2,18,21,22).
What are the key properties of 4-methyl-6-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine?
4-methyl-6-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 356.43 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 154838178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).