N-[4-amino-6-methyl-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]-2,2-dimethylpropanamide

C13H20N4O — CID 163899374

IUPACN-[4-amino-6-methyl-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]-2,2-dimethylpropanamide
SMILESC/C=C\c1c(C)nc(NC(=O)C(C)(C)C)nc1N
InChIInChI=1S/C13H20N4O/c1-6-7-9-8(2)15-12(16-10(9)14)17-11(18)13(3,4)5/h6-7H,1-5H3,(H3,14,15,16,17,18)/b7-6-
InChIKeyQIMAFLULOVUFFE-SREVYHEPSA-N
MW248.33 g/mol
LogP2.38
Rot. Bonds2

About N-[4-amino-6-methyl-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]-2,2-dimethylpropanamide

N-[4-amino-6-methyl-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]-2,2-dimethylpropanamide (PubChem CID 163899374) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-[4-amino-6-methyl-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-amino-6-methyl-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]-2,2-dimethylpropanamide
PubChem CID163899374
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-[4-amino-6-methyl-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]-2,2-dimethylpropanamide
SMILESC/C=C\c1c(C)nc(NC(=O)C(C)(C)C)nc1N
InChIInChI=1S/C13H20N4O/c1-6-7-9-8(2)15-12(16-10(9)14)17-11(18)13(3,4)5/h6-7H,1-5H3,(H3,14,15,16,17,18)/b7-6-
InChIKeyQIMAFLULOVUFFE-SREVYHEPSA-N
XLogP2.38
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-2,7-dimethyl-6H-pyrido[4,3-d]pyrimidin-5-one
CID 56664931
2,4-diamino-7-methyl-6H-pyrido[4,3-d]pyrimidin-5-one
CID 56681908
2,4-dimethyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 12795380
4-[6-ethenyl-2-fluoro-5-[(Z)-prop-1-enyl]pyrimidin-4-yl]-6-methyl-5-[(Z)-prop-1-enyl]-1,3-dihydropyrazin-2-one
CID 155120378
Pyrido[2,3-d]pyrimidin-7(8H)-one, 4,8-dimethyl-2-methylamino-
CID 609306
5-[(E)-2-cyclopropylethenyl]-6-methylpyrimidine-2,4-diamine
CID 170984259
2,4,6-trimethyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 12795384
2,6-Dimethyl-5-(2-methylprop-1-enyl)pyrimidin-4-amine
CID 129916767
2,4,5-trimethyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 134987193
N-[5-[(Z)-2-ethoxyethenyl]-2,6-dimethylpyrimidin-4-yl]acetamide
CID 10331635
4,6-dimethyl-8H-pyrido[2,3-d]pyrimidin-7-one
CID 12795383
2-amino-8-ethyl-4-methylpyrido[2,3-d]pyrimidin-7(8H)-one
CID 16123062

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-6-methyl-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-amino-6-methyl-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]-2,2-dimethylpropanamide (CID 163899374) is N-[4-amino-6-methyl-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-amino-6-methyl-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-amino-6-methyl-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]-2,2-dimethylpropanamide is C/C=C\c1c(C)nc(NC(=O)C(C)(C)C)nc1N.
What is the InChIKey of N-[4-amino-6-methyl-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]-2,2-dimethylpropanamide?
The InChIKey is QIMAFLULOVUFFE-SREVYHEPSA-N. The full InChI is InChI=1S/C13H20N4O/c1-6-7-9-8(2)15-12(16-10(9)14)17-11(18)13(3,4)5/h6-7H,1-5H3,(H3,14,15,16,17,18)/b7-6-.
What are the key properties of N-[4-amino-6-methyl-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]-2,2-dimethylpropanamide?
N-[4-amino-6-methyl-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]-2,2-dimethylpropanamide has a molecular weight of 248.33 g/mol, XLogP of 2.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-6-methyl-5-[(Z)-prop-1-enyl]pyrimidin-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 163899374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).