N-[2-(dimethylamino)ethyl]-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide

C16H29N5O — CID 109325078

IUPACN-[2-(dimethylamino)ethyl]-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
SMILESCCCN(CCC)c1nc(C)cc(C(=O)NCCN(C)C)n1
InChIInChI=1S/C16H29N5O/c1-6-9-21(10-7-2)16-18-13(3)12-14(19-16)15(22)17-8-11-20(4)5/h12H,6-11H2,1-5H3,(H,17,22)
InChIKeyVLYHMHVAHDNUEK-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.70
Rot. Bonds9

About N-[2-(dimethylamino)ethyl]-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide

N-[2-(dimethylamino)ethyl]-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109325078) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
PubChem CID109325078
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
SMILESCCCN(CCC)c1nc(C)cc(C(=O)NCCN(C)C)n1
InChIInChI=1S/C16H29N5O/c1-6-9-21(10-7-2)16-18-13(3)12-14(19-16)15(22)17-8-11-20(4)5/h12H,6-11H2,1-5H3,(H,17,22)
InChIKeyVLYHMHVAHDNUEK-UHFFFAOYSA-N
XLogP1.70
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dipropylamino)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109330461
2-[benzyl(ethyl)amino]-N-[3-(dimethylamino)propyl]-6-methylpyrimidine-4-carboxamide
CID 109325574
N-[(2-chlorophenyl)methyl]-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
CID 109328910
2-(dipropylamino)-6-methyl-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109330013
N-[2-(dimethylamino)ethyl]-6-methyl-2-morpholin-4-ylpyrimidine-4-carboxamide
CID 109324197
N-(2,3-dimethylphenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
CID 109334127
2-(diethylamino)-6-methyl-N-[2-(4-methylphenyl)ethyl]pyrimidine-4-carboxamide
CID 56731093
N-(4-cyanophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
CID 109334197
N-[3-(dimethylamino)propyl]-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
CID 109325406
N-(3-chloro-4-fluorophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
CID 109334146
2-(2,6-difluoroanilino)-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109325183
2-[butyl(methyl)amino]-N-[2-(4-chlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109331713

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide (CID 109325078) is N-[2-(dimethylamino)ethyl]-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide is CCCN(CCC)c1nc(C)cc(C(=O)NCCN(C)C)n1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is VLYHMHVAHDNUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O/c1-6-9-21(10-7-2)16-18-13(3)12-14(19-16)15(22)17-8-11-20(4)5/h12H,6-11H2,1-5H3,(H,17,22).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 1.70, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109325078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).