N-but-3-en-2-yl-4-methylpyrimidin-2-amine

C9H13N3 — CID 115691968

IUPACN-but-3-en-2-yl-4-methylpyrimidin-2-amine
SMILESC=CC(C)Nc1nccc(C)n1
InChIInChI=1S/C9H13N3/c1-4-7(2)11-9-10-6-5-8(3)12-9/h4-7H,1H2,2-3H3,(H,10,11,12)
InChIKeyDEWUOXFZLDLIPW-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.77
Rot. Bonds3

About N-but-3-en-2-yl-4-methylpyrimidin-2-amine

N-but-3-en-2-yl-4-methylpyrimidin-2-amine (PubChem CID 115691968) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is N-but-3-en-2-yl-4-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-but-3-en-2-yl-4-methylpyrimidin-2-amine
PubChem CID115691968
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC NameN-but-3-en-2-yl-4-methylpyrimidin-2-amine
SMILESC=CC(C)Nc1nccc(C)n1
InChIInChI=1S/C9H13N3/c1-4-7(2)11-9-10-6-5-8(3)12-9/h4-7H,1H2,2-3H3,(H,10,11,12)
InChIKeyDEWUOXFZLDLIPW-UHFFFAOYSA-N
XLogP1.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(but-3-en-2-ylamino)pyrimidine-4-carbonitrile
CID 107545233
4-methyl-N-(1-methylsulfanylpropan-2-yl)pyrimidin-2-amine
CID 115637582
4-methyl-N-[1-(4-methylphenyl)ethyl]pyrimidin-2-amine
CID 62958041
N-benzhydryl-4-methylpyrimidin-2-amine
CID 62958031
N-(1-methoxypropan-2-yl)-4-methylpyrimidin-2-amine
CID 62958383
2-[(4-methylpyrimidin-2-yl)amino]propanamide
CID 62959080
N-[1-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 62960002
1-N'-(4-methylpyrimidin-2-yl)ethene-1,1-diamine
CID 139390411
4-methyl-3-[(4-methylpyrimidin-2-yl)amino]pentan-1-ol
CID 103703910
4-methyl-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 62958907
4-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-2-amine
CID 103946633
1-(4-fluorophenyl)-2-[(4-methylpyrimidin-2-yl)amino]propan-1-ol
CID 133309866

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-4-methylpyrimidin-2-amine?
The IUPAC name of N-but-3-en-2-yl-4-methylpyrimidin-2-amine (CID 115691968) is N-but-3-en-2-yl-4-methylpyrimidin-2-amine.
What is the SMILES notation for N-but-3-en-2-yl-4-methylpyrimidin-2-amine?
The canonical SMILES for N-but-3-en-2-yl-4-methylpyrimidin-2-amine is C=CC(C)Nc1nccc(C)n1.
What is the InChIKey of N-but-3-en-2-yl-4-methylpyrimidin-2-amine?
The InChIKey is DEWUOXFZLDLIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-4-7(2)11-9-10-6-5-8(3)12-9/h4-7H,1H2,2-3H3,(H,10,11,12).
What are the key properties of N-but-3-en-2-yl-4-methylpyrimidin-2-amine?
N-but-3-en-2-yl-4-methylpyrimidin-2-amine has a molecular weight of 163.22 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-4-methylpyrimidin-2-amine is sourced from PubChem (CID 115691968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).