4-(6-methoxy-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

C15H20N6O — CID 67302456

IUPAC4-(6-methoxy-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCOc1ccc(-c2cc(N3CCN(C)CC3)nc(N)n2)cn1
InChIInChI=1S/C15H20N6O/c1-20-5-7-21(8-6-20)13-9-12(18-15(16)19-13)11-3-4-14(22-2)17-10-11/h3-4,9-10H,5-8H2,1-2H3,(H2,16,18,19)
InChIKeyVORTTWQFQANXRE-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.88
Rot. Bonds3

About 4-(6-methoxy-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

4-(6-methoxy-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 67302456) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 4-(6-methoxy-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(6-methoxy-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID67302456
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name4-(6-methoxy-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCOc1ccc(-c2cc(N3CCN(C)CC3)nc(N)n2)cn1
InChIInChI=1S/C15H20N6O/c1-20-5-7-21(8-6-20)13-9-12(18-15(16)19-13)11-3-4-14(22-2)17-10-11/h3-4,9-10H,5-8H2,1-2H3,(H2,16,18,19)
InChIKeyVORTTWQFQANXRE-UHFFFAOYSA-N
XLogP0.88
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-methylpiperazin-1-yl)-6-(4-phenylphenyl)pyrimidin-2-amine
CID 25129879
4-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 74249552
4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-2-amine
CID 141132498
4-(4-methylpiperazin-1-yl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 11267697
4-[5-(4-methoxyphenyl)-3-pyridinyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
CID 3653747
4-(5-chloro-2-methoxy-4-pyridinyl)-6-morpholin-4-ylpyrimidin-2-amine
CID 74250778
methyl 6-[[7-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]amino]pyridine-3-carboxylate
CID 59496543
4-(4-methylpiperazin-1-yl)-6-(1-methylpyrrolo[2,3-b]pyridin-4-yl)pyrimidin-2-amine
CID 70750041
5-[7-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-methylpyridine-2-carboxamide
CID 59496676
6-(6-methoxy-3-pyridinyl)-4-morpholin-4-ylpteridin-2-amine
CID 68776110
4-(4-methylphenyl)-6-piperazin-1-ylpyrimidin-2-amine
CID 141328072
4-[1-[6-(6-methoxy-3-pyridinyl)-2-pyridin-4-ylpyrimidin-4-yl]piperidin-4-yl]morpholine
CID 155539782

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxy-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-(6-methoxy-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 67302456) is 4-(6-methoxy-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(6-methoxy-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(6-methoxy-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is COc1ccc(-c2cc(N3CCN(C)CC3)nc(N)n2)cn1.
What is the InChIKey of 4-(6-methoxy-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is VORTTWQFQANXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-20-5-7-21(8-6-20)13-9-12(18-15(16)19-13)11-3-4-14(22-2)17-10-11/h3-4,9-10H,5-8H2,1-2H3,(H2,16,18,19).
What are the key properties of 4-(6-methoxy-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
4-(6-methoxy-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 300.37 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxy-3-pyridinyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 67302456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).