4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide

C18H24N6O2 — CID 168877417

IUPAC4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(N3CCC(C)(N)CC3)nc2N)cc1
InChIInChI=1S/C18H24N6O2/c1-18(20)7-9-24(10-8-18)17-21-11-14(15(19)23-17)16(25)22-12-3-5-13(26-2)6-4-12/h3-6,11H,7-10,20H2,1-2H3,(H,22,25)(H2,19,21,23)
InChIKeyHNNBWDUZJTVVPA-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.64
Rot. Bonds4

About 4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide

4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide (PubChem CID 168877417) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
PubChem CID168877417
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(N3CCC(C)(N)CC3)nc2N)cc1
InChIInChI=1S/C18H24N6O2/c1-18(20)7-9-24(10-8-18)17-21-11-14(15(19)23-17)16(25)22-12-3-5-13(26-2)6-4-12/h3-6,11H,7-10,20H2,1-2H3,(H,22,25)(H2,19,21,23)
InChIKeyHNNBWDUZJTVVPA-UHFFFAOYSA-N
XLogP1.64
TPSA119.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide (CID 168877417) is 4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide is COc1ccc(NC(=O)c2cnc(N3CCC(C)(N)CC3)nc2N)cc1.
What is the InChIKey of 4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is HNNBWDUZJTVVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-18(20)7-9-24(10-8-18)17-21-11-14(15(19)23-17)16(25)22-12-3-5-13(26-2)6-4-12/h3-6,11H,7-10,20H2,1-2H3,(H,22,25)(H2,19,21,23).
What are the key properties of 4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide?
4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 168877417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).