2-N-(4-methylpent-3-enyl)pyrimidine-2,4-diamine

C10H16N4 — CID 130791698

IUPAC2-N-(4-methylpent-3-enyl)pyrimidine-2,4-diamine
SMILESCC(C)=CCCNc1nccc(N)n1
InChIInChI=1S/C10H16N4/c1-8(2)4-3-6-12-10-13-7-5-9(11)14-10/h4-5,7H,3,6H2,1-2H3,(H3,11,12,13,14)
InChIKeySUHKZEQDXKHYDN-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.83
Rot. Bonds4

About 2-N-(4-methylpent-3-enyl)pyrimidine-2,4-diamine

2-N-(4-methylpent-3-enyl)pyrimidine-2,4-diamine (PubChem CID 130791698) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 2-N-(4-methylpent-3-enyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-methylpent-3-enyl)pyrimidine-2,4-diamine
PubChem CID130791698
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name2-N-(4-methylpent-3-enyl)pyrimidine-2,4-diamine
SMILESCC(C)=CCCNc1nccc(N)n1
InChIInChI=1S/C10H16N4/c1-8(2)4-3-6-12-10-13-7-5-9(11)14-10/h4-5,7H,3,6H2,1-2H3,(H3,11,12,13,14)
InChIKeySUHKZEQDXKHYDN-UHFFFAOYSA-N
XLogP1.83
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 83695203
2-methyl-N-(4-methylpent-3-enyl)pyrimidin-4-amine
CID 130668363
2-N-(3-methylsulfanylpropyl)pyrimidine-2,4-diamine
CID 116795959
2-N-(2-methylsulfinylethyl)pyrimidine-2,4-diamine
CID 116797406
2-N-(2-bromoprop-2-enyl)pyrimidine-2,4-diamine
CID 116797364
2-N-[4-(dimethylamino)butyl]pyrimidine-2,4-diamine
CID 116795730
ethyl 3-[(4-aminopyrimidin-2-yl)amino]propanoate
CID 116795749
2-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 83695078
3-[(4-aminopyrimidin-2-yl)amino]-2-methylpropane-1,2-diol
CID 116796093
2-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 115978124
4-[(4-aminopyrimidin-2-yl)amino]-N-cyclopropylbutanamide
CID 116796107
2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 116795439

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methylpent-3-enyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(4-methylpent-3-enyl)pyrimidine-2,4-diamine (CID 130791698) is 2-N-(4-methylpent-3-enyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(4-methylpent-3-enyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(4-methylpent-3-enyl)pyrimidine-2,4-diamine is CC(C)=CCCNc1nccc(N)n1.
What is the InChIKey of 2-N-(4-methylpent-3-enyl)pyrimidine-2,4-diamine?
The InChIKey is SUHKZEQDXKHYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-8(2)4-3-6-12-10-13-7-5-9(11)14-10/h4-5,7H,3,6H2,1-2H3,(H3,11,12,13,14).
What are the key properties of 2-N-(4-methylpent-3-enyl)pyrimidine-2,4-diamine?
2-N-(4-methylpent-3-enyl)pyrimidine-2,4-diamine has a molecular weight of 192.27 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methylpent-3-enyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 130791698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).