6-amino-2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide

C18H22Cl2N6O — CID 155089572

IUPAC6-amino-2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide
SMILESCC1(CN)CCN(c2nc(N)c(-c3cccc(Cl)c3Cl)c(C(N)=O)n2)CC1
InChIInChI=1S/C18H22Cl2N6O/c1-18(9-21)5-7-26(8-6-18)17-24-14(16(23)27)12(15(22)25-17)10-3-2-4-11(19)13(10)20/h2-4H,5-9,21H2,1H3,(H2,23,27)(H2,22,24,25)
InChIKeyINZXPGARNZVJIM-UHFFFAOYSA-N
MW409.32 g/mol
LogP2.70
Rot. Bonds4

About 6-amino-2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide

6-amino-2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide (PubChem CID 155089572) has the molecular formula C18H22Cl2N6O and a molecular weight of 409.32 g/mol. Its IUPAC name is 6-amino-2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-amino-2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide
PubChem CID155089572
Molecular FormulaC18H22Cl2N6O
Molecular Weight409.32 g/mol
Exact Mass408.12
IUPAC Name6-amino-2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide
SMILESCC1(CN)CCN(c2nc(N)c(-c3cccc(Cl)c3Cl)c(C(N)=O)n2)CC1
InChIInChI=1S/C18H22Cl2N6O/c1-18(9-21)5-7-26(8-6-18)17-24-14(16(23)27)12(15(22)25-17)10-3-2-4-11(19)13(10)20/h2-4H,5-9,21H2,1H3,(H2,23,27)(H2,22,24,25)
InChIKeyINZXPGARNZVJIM-UHFFFAOYSA-N
XLogP2.70
TPSA124.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.32
LogP ≤ 52.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-amino-2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide (CID 155089572) is 6-amino-2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-amino-2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-amino-2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide is CC1(CN)CCN(c2nc(N)c(-c3cccc(Cl)c3Cl)c(C(N)=O)n2)CC1.
What is the InChIKey of 6-amino-2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide?
The InChIKey is INZXPGARNZVJIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N6O/c1-18(9-21)5-7-26(8-6-18)17-24-14(16(23)27)12(15(22)25-17)10-3-2-4-11(19)13(10)20/h2-4H,5-9,21H2,1H3,(H2,23,27)(H2,22,24,25).
What are the key properties of 6-amino-2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide?
6-amino-2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide has a molecular weight of 409.32 g/mol, XLogP of 2.70, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[4-(aminomethyl)-4-methylpiperidin-1-yl]-5-(2,3-dichlorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 155089572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).