4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-naphthalen-1-ylpyrimidine-5-carboxamide

C21H24N6O — CID 168877412

IUPAC4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-naphthalen-1-ylpyrimidine-5-carboxamide
SMILESCC1(N)CCN(c2ncc(C(=O)Nc3cccc4ccccc34)c(N)n2)CC1
InChIInChI=1S/C21H24N6O/c1-21(23)9-11-27(12-10-21)20-24-13-16(18(22)26-20)19(28)25-17-8-4-6-14-5-2-3-7-15(14)17/h2-8,13H,9-12,23H2,1H3,(H,25,28)(H2,22,24,26)
InChIKeyXHAYXFWZTCCUQE-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.78
Rot. Bonds3

About 4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-naphthalen-1-ylpyrimidine-5-carboxamide

4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-naphthalen-1-ylpyrimidine-5-carboxamide (PubChem CID 168877412) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-naphthalen-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-naphthalen-1-ylpyrimidine-5-carboxamide
PubChem CID168877412
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-naphthalen-1-ylpyrimidine-5-carboxamide
SMILESCC1(N)CCN(c2ncc(C(=O)Nc3cccc4ccccc34)c(N)n2)CC1
InChIInChI=1S/C21H24N6O/c1-21(23)9-11-27(12-10-21)20-24-13-16(18(22)26-20)19(28)25-17-8-4-6-14-5-2-3-7-15(14)17/h2-8,13H,9-12,23H2,1H3,(H,25,28)(H2,22,24,26)
InChIKeyXHAYXFWZTCCUQE-UHFFFAOYSA-N
XLogP2.78
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-naphthalen-1-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-naphthalen-1-ylpyrimidine-5-carboxamide (CID 168877412) is 4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-naphthalen-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-naphthalen-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-naphthalen-1-ylpyrimidine-5-carboxamide is CC1(N)CCN(c2ncc(C(=O)Nc3cccc4ccccc34)c(N)n2)CC1.
What is the InChIKey of 4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-naphthalen-1-ylpyrimidine-5-carboxamide?
The InChIKey is XHAYXFWZTCCUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-21(23)9-11-27(12-10-21)20-24-13-16(18(22)26-20)19(28)25-17-8-4-6-14-5-2-3-7-15(14)17/h2-8,13H,9-12,23H2,1H3,(H,25,28)(H2,22,24,26).
What are the key properties of 4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-naphthalen-1-ylpyrimidine-5-carboxamide?
4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-naphthalen-1-ylpyrimidine-5-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.78, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-amino-4-methylpiperidin-1-yl)-N-naphthalen-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 168877412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).