2-(3,8-diazabicyclo[3.2.1]octan-3-yl)-N-methylpyrimidine-5-carboxamide;dihydrochloride

C12H19Cl2N5O — CID 168994577

IUPAC2-(3,8-diazabicyclo[3.2.1]octan-3-yl)-N-methylpyrimidine-5-carboxamide;dihydrochloride
SMILESCNC(=O)c1cnc(N2CC3CCC(C2)N3)nc1.Cl.Cl
InChIInChI=1S/C12H17N5O.2ClH/c1-13-11(18)8-4-14-12(15-5-8)17-6-9-2-3-10(7-17)16-9;;/h4-5,9-10,16H,2-3,6-7H2,1H3,(H,13,18);2*1H
InChIKeyQAHQWQMKTYBDOQ-UHFFFAOYSA-N
MW320.22 g/mol
LogP0.62
Rot. Bonds2

About 2-(3,8-diazabicyclo[3.2.1]octan-3-yl)-N-methylpyrimidine-5-carboxamide;dihydrochloride

2-(3,8-diazabicyclo[3.2.1]octan-3-yl)-N-methylpyrimidine-5-carboxamide;dihydrochloride (PubChem CID 168994577) has the molecular formula C12H19Cl2N5O and a molecular weight of 320.22 g/mol. Its IUPAC name is 2-(3,8-diazabicyclo[3.2.1]octan-3-yl)-N-methylpyrimidine-5-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(3,8-diazabicyclo[3.2.1]octan-3-yl)-N-methylpyrimidine-5-carboxamide;dihydrochloride
PubChem CID168994577
Molecular FormulaC12H19Cl2N5O
Molecular Weight320.22 g/mol
Exact Mass319.10
IUPAC Name2-(3,8-diazabicyclo[3.2.1]octan-3-yl)-N-methylpyrimidine-5-carboxamide;dihydrochloride
SMILESCNC(=O)c1cnc(N2CC3CCC(C2)N3)nc1.Cl.Cl
InChIInChI=1S/C12H17N5O.2ClH/c1-13-11(18)8-4-14-12(15-5-8)17-6-9-2-3-10(7-17)16-9;;/h4-5,9-10,16H,2-3,6-7H2,1H3,(H,13,18);2*1H
InChIKeyQAHQWQMKTYBDOQ-UHFFFAOYSA-N
XLogP0.62
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3,8-diazabicyclo[3.2.1]octan-3-yl)-N-methylpyrimidine-5-carboxamide;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(3-tert-butylpyrrolidin-1-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide
CID 176748307
5-chloro-6-(3,8-diazabicyclo[3.2.1]octan-3-yl)pyridine-3-carboxylic acid;hydrochloride
CID 153354859
2-[3-(methylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide
CID 175897249
N-cycloheptyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109250891
2-(4-hydroxypiperidin-1-yl)pyrimidine-5-carboxylic acid
CID 53415565
2-[4-(7-chloro-1-methyl-2,3-dioxopyrido[2,3-b]pyrazin-4-yl)piperidin-1-yl]-N-methylpyrimidine-5-carboxamide
CID 170344673
N-hydroxy-2-(6-piperidin-1-yl-3-azabicyclo[3.1.0]hexan-3-yl)pyrimidine-5-carboxamide
CID 59367642
2-(4-methylpiperidin-1-yl)-N-propylpyrimidine-5-carboxamide
CID 109246476
N-methyl-6-piperidin-4-ylpyridine-3-carboxamide
CID 73440684
3-pyrimidin-2-yl-3,6-diazabicyclo[3.1.1]heptane
CID 152707227
N-hydroxy-2-(8-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indol-2-yl)pyrimidine-5-carboxamide
CID 11996798
2-(azepan-1-yl)-N-propan-2-ylpyrimidine-5-carboxamide
CID 109246951

Frequently Asked Questions

What is the IUPAC name of 2-(3,8-diazabicyclo[3.2.1]octan-3-yl)-N-methylpyrimidine-5-carboxamide;dihydrochloride?
The IUPAC name of 2-(3,8-diazabicyclo[3.2.1]octan-3-yl)-N-methylpyrimidine-5-carboxamide;dihydrochloride (CID 168994577) is 2-(3,8-diazabicyclo[3.2.1]octan-3-yl)-N-methylpyrimidine-5-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(3,8-diazabicyclo[3.2.1]octan-3-yl)-N-methylpyrimidine-5-carboxamide;dihydrochloride?
The canonical SMILES for 2-(3,8-diazabicyclo[3.2.1]octan-3-yl)-N-methylpyrimidine-5-carboxamide;dihydrochloride is CNC(=O)c1cnc(N2CC3CCC(C2)N3)nc1.Cl.Cl.
What is the InChIKey of 2-(3,8-diazabicyclo[3.2.1]octan-3-yl)-N-methylpyrimidine-5-carboxamide;dihydrochloride?
The InChIKey is QAHQWQMKTYBDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O.2ClH/c1-13-11(18)8-4-14-12(15-5-8)17-6-9-2-3-10(7-17)16-9;;/h4-5,9-10,16H,2-3,6-7H2,1H3,(H,13,18);2*1H.
What are the key properties of 2-(3,8-diazabicyclo[3.2.1]octan-3-yl)-N-methylpyrimidine-5-carboxamide;dihydrochloride?
2-(3,8-diazabicyclo[3.2.1]octan-3-yl)-N-methylpyrimidine-5-carboxamide;dihydrochloride has a molecular weight of 320.22 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,8-diazabicyclo[3.2.1]octan-3-yl)-N-methylpyrimidine-5-carboxamide;dihydrochloride is sourced from PubChem (CID 168994577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).