6-[3-(dimethylamino)propylamino]-2-methyl-N-prop-2-enylpyrimidine-4-carboxamide

C14H23N5O — CID 109361367

IUPAC6-[3-(dimethylamino)propylamino]-2-methyl-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(NCCCN(C)C)nc(C)n1
InChIInChI=1S/C14H23N5O/c1-5-7-16-14(20)12-10-13(18-11(2)17-12)15-8-6-9-19(3)4/h5,10H,1,6-9H2,2-4H3,(H,16,20)(H,15,17,18)
InChIKeyYEYBEFBBCJFGRU-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.06
Rot. Bonds8

About 6-[3-(dimethylamino)propylamino]-2-methyl-N-prop-2-enylpyrimidine-4-carboxamide

6-[3-(dimethylamino)propylamino]-2-methyl-N-prop-2-enylpyrimidine-4-carboxamide (PubChem CID 109361367) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propylamino]-2-methyl-N-prop-2-enylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[3-(dimethylamino)propylamino]-2-methyl-N-prop-2-enylpyrimidine-4-carboxamide
PubChem CID109361367
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name6-[3-(dimethylamino)propylamino]-2-methyl-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(NCCCN(C)C)nc(C)n1
InChIInChI=1S/C14H23N5O/c1-5-7-16-14(20)12-10-13(18-11(2)17-12)15-8-6-9-19(3)4/h5,10H,1,6-9H2,2-4H3,(H,16,20)(H,15,17,18)
InChIKeyYEYBEFBBCJFGRU-UHFFFAOYSA-N
XLogP1.06
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

6-[3-(dimethylamino)propylamino]-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 109366606
6-[3-(dimethylamino)propylamino]-2-phenyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 112852103
6-[3-(dimethylamino)propylamino]-2-methyl-N-phenylpyrimidine-4-carboxamide
CID 109366614
2-methyl-6-(2-methylpropylamino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109361353
6-[3-(dimethylamino)propylamino]-N-(3,4-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109366623
2-methyl-6-(propan-2-ylamino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109360374
2-methyl-N-(3-methylbutyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109361234
N-(2-chloro-4,6-dimethylphenyl)-6-[3-(dimethylamino)propylamino]-2-methylpyrimidine-4-carboxamide
CID 109366648
2-[3-(dimethylamino)propylamino]-N-prop-2-enylpyridine-4-carboxamide
CID 109165269
6-[3-(dimethylamino)propylamino]-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109366701
N-[2-(dimethylamino)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109361940
6-[2-(dimethylamino)ethylamino]-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109365996

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)propylamino]-2-methyl-N-prop-2-enylpyrimidine-4-carboxamide?
The IUPAC name of 6-[3-(dimethylamino)propylamino]-2-methyl-N-prop-2-enylpyrimidine-4-carboxamide (CID 109361367) is 6-[3-(dimethylamino)propylamino]-2-methyl-N-prop-2-enylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[3-(dimethylamino)propylamino]-2-methyl-N-prop-2-enylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[3-(dimethylamino)propylamino]-2-methyl-N-prop-2-enylpyrimidine-4-carboxamide is C=CCNC(=O)c1cc(NCCCN(C)C)nc(C)n1.
What is the InChIKey of 6-[3-(dimethylamino)propylamino]-2-methyl-N-prop-2-enylpyrimidine-4-carboxamide?
The InChIKey is YEYBEFBBCJFGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-5-7-16-14(20)12-10-13(18-11(2)17-12)15-8-6-9-19(3)4/h5,10H,1,6-9H2,2-4H3,(H,16,20)(H,15,17,18).
What are the key properties of 6-[3-(dimethylamino)propylamino]-2-methyl-N-prop-2-enylpyrimidine-4-carboxamide?
6-[3-(dimethylamino)propylamino]-2-methyl-N-prop-2-enylpyrimidine-4-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 1.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propylamino]-2-methyl-N-prop-2-enylpyrimidine-4-carboxamide is sourced from PubChem (CID 109361367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).