2-methyl-6-(2-methylpropylamino)-N-prop-2-enylpyrimidine-4-carboxamide

C13H20N4O — CID 109361353

IUPAC2-methyl-6-(2-methylpropylamino)-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(NCC(C)C)nc(C)n1
InChIInChI=1S/C13H20N4O/c1-5-6-14-13(18)11-7-12(15-8-9(2)3)17-10(4)16-11/h5,7,9H,1,6,8H2,2-4H3,(H,14,18)(H,15,16,17)
InChIKeyRORLUJBNZAPQCD-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.77
Rot. Bonds6

About 2-methyl-6-(2-methylpropylamino)-N-prop-2-enylpyrimidine-4-carboxamide

2-methyl-6-(2-methylpropylamino)-N-prop-2-enylpyrimidine-4-carboxamide (PubChem CID 109361353) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-methyl-6-(2-methylpropylamino)-N-prop-2-enylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-(2-methylpropylamino)-N-prop-2-enylpyrimidine-4-carboxamide
PubChem CID109361353
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name2-methyl-6-(2-methylpropylamino)-N-prop-2-enylpyrimidine-4-carboxamide
SMILESC=CCNC(=O)c1cc(NCC(C)C)nc(C)n1
InChIInChI=1S/C13H20N4O/c1-5-6-14-13(18)11-7-12(15-8-9(2)3)17-10(4)16-11/h5,7,9H,1,6,8H2,2-4H3,(H,14,18)(H,15,16,17)
InChIKeyRORLUJBNZAPQCD-UHFFFAOYSA-N
XLogP1.77
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-(dimethylamino)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109361940
6-[3-(dimethylamino)propylamino]-2-methyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 109361367
2-methyl-N-(4-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109362017
6-(2-bromoanilino)-2-methyl-N-prop-2-enylpyrimidine-4-carboxamide
CID 109361513
2-methyl-N-(4-methylphenyl)-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109361248
N-[2-(3-chlorophenyl)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109362010
N-(4-chloro-2-methylphenyl)-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109362045
[2-methyl-6-(2-methylpropylamino)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109361943
N-[2-(3-methoxyphenyl)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109361970
N-cyclopentyl-2-methyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109361162

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(2-methylpropylamino)-N-prop-2-enylpyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-6-(2-methylpropylamino)-N-prop-2-enylpyrimidine-4-carboxamide (CID 109361353) is 2-methyl-6-(2-methylpropylamino)-N-prop-2-enylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-(2-methylpropylamino)-N-prop-2-enylpyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-6-(2-methylpropylamino)-N-prop-2-enylpyrimidine-4-carboxamide is C=CCNC(=O)c1cc(NCC(C)C)nc(C)n1.
What is the InChIKey of 2-methyl-6-(2-methylpropylamino)-N-prop-2-enylpyrimidine-4-carboxamide?
The InChIKey is RORLUJBNZAPQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-5-6-14-13(18)11-7-12(15-8-9(2)3)17-10(4)16-11/h5,7,9H,1,6,8H2,2-4H3,(H,14,18)(H,15,16,17).
What are the key properties of 2-methyl-6-(2-methylpropylamino)-N-prop-2-enylpyrimidine-4-carboxamide?
2-methyl-6-(2-methylpropylamino)-N-prop-2-enylpyrimidine-4-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(2-methylpropylamino)-N-prop-2-enylpyrimidine-4-carboxamide is sourced from PubChem (CID 109361353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).