4-N-(1-benzylpiperidin-4-yl)-2-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine

C24H29N5O — CID 44526645

IUPAC4-N-(1-benzylpiperidin-4-yl)-2-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCOc1cccc(Nc2nc(C)cc(NC3CCN(Cc4ccccc4)CC3)n2)c1
InChIInChI=1S/C24H29N5O/c1-18-15-23(28-24(25-18)27-21-9-6-10-22(16-21)30-2)26-20-11-13-29(14-12-20)17-19-7-4-3-5-8-19/h3-10,15-16,20H,11-14,17H2,1-2H3,(H2,25,26,27,28)
InChIKeyZUYDQGPYBSKEJP-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.61
Rot. Bonds7

About 4-N-(1-benzylpiperidin-4-yl)-2-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine

4-N-(1-benzylpiperidin-4-yl)-2-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine (PubChem CID 44526645) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 4-N-(1-benzylpiperidin-4-yl)-2-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-benzylpiperidin-4-yl)-2-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
PubChem CID44526645
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name4-N-(1-benzylpiperidin-4-yl)-2-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine
SMILESCOc1cccc(Nc2nc(C)cc(NC3CCN(Cc4ccccc4)CC3)n2)c1
InChIInChI=1S/C24H29N5O/c1-18-15-23(28-24(25-18)27-21-9-6-10-22(16-21)30-2)26-20-11-13-29(14-12-20)17-19-7-4-3-5-8-19/h3-10,15-16,20H,11-14,17H2,1-2H3,(H2,25,26,27,28)
InChIKeyZUYDQGPYBSKEJP-UHFFFAOYSA-N
XLogP4.61
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1-benzylpiperidin-4-yl)-2-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1-benzylpiperidin-4-yl)-2-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine (CID 44526645) is 4-N-(1-benzylpiperidin-4-yl)-2-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1-benzylpiperidin-4-yl)-2-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1-benzylpiperidin-4-yl)-2-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine is COc1cccc(Nc2nc(C)cc(NC3CCN(Cc4ccccc4)CC3)n2)c1.
What is the InChIKey of 4-N-(1-benzylpiperidin-4-yl)-2-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is ZUYDQGPYBSKEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-18-15-23(28-24(25-18)27-21-9-6-10-22(16-21)30-2)26-20-11-13-29(14-12-20)17-19-7-4-3-5-8-19/h3-10,15-16,20H,11-14,17H2,1-2H3,(H2,25,26,27,28).
What are the key properties of 4-N-(1-benzylpiperidin-4-yl)-2-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine?
4-N-(1-benzylpiperidin-4-yl)-2-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 403.53 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-benzylpiperidin-4-yl)-2-N-(3-methoxyphenyl)-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 44526645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).