2-N-(2-methylpropyl)pyrimidine-2,4-diamine

C8H14N4 — CID 83695078

IUPAC2-N-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCC(C)CNc1nccc(N)n1
InChIInChI=1S/C8H14N4/c1-6(2)5-11-8-10-4-3-7(9)12-8/h3-4,6H,5H2,1-2H3,(H3,9,10,11,12)
InChIKeyQSUDWDTUVVFKSH-UHFFFAOYSA-N
MW166.23 g/mol
LogP1.13
Rot. Bonds3

About 2-N-(2-methylpropyl)pyrimidine-2,4-diamine

2-N-(2-methylpropyl)pyrimidine-2,4-diamine (PubChem CID 83695078) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 2-N-(2-methylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methylpropyl)pyrimidine-2,4-diamine
PubChem CID83695078
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name2-N-(2-methylpropyl)pyrimidine-2,4-diamine
SMILESCC(C)CNc1nccc(N)n1
InChIInChI=1S/C8H14N4/c1-6(2)5-11-8-10-4-3-7(9)12-8/h3-4,6H,5H2,1-2H3,(H3,9,10,11,12)
InChIKeyQSUDWDTUVVFKSH-UHFFFAOYSA-N
XLogP1.13
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2,3,3-trimethylbutyl)pyrimidine-2,4-diamine
CID 116797252
2-(2-methylpropylamino)pyrimidine-4-carboxylic acid
CID 103689466
2-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 83695203
2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 116795439
N-(2-methylpropyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883334
2-N-[(2-methylpyrimidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 116795587
2-N-(3-methylsulfanylpropyl)pyrimidine-2,4-diamine
CID 116795959
3-[(4-aminopyrimidin-2-yl)amino]-2-methylpropane-1,2-diol
CID 116796093
2-N-(2,2,3,3-tetrafluoropropyl)pyrimidine-2,4-diamine
CID 106296048
2-N-(4-methylpent-3-enyl)pyrimidine-2,4-diamine
CID 130791698
2-N-(2-methylsulfinylethyl)pyrimidine-2,4-diamine
CID 116797406
4-(2,6-dimethyl-3-pyridinyl)-N-(2-methylpropyl)pyrimidin-2-amine
CID 56868663

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-methylpropyl)pyrimidine-2,4-diamine (CID 83695078) is 2-N-(2-methylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-methylpropyl)pyrimidine-2,4-diamine is CC(C)CNc1nccc(N)n1.
What is the InChIKey of 2-N-(2-methylpropyl)pyrimidine-2,4-diamine?
The InChIKey is QSUDWDTUVVFKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-6(2)5-11-8-10-4-3-7(9)12-8/h3-4,6H,5H2,1-2H3,(H3,9,10,11,12).
What are the key properties of 2-N-(2-methylpropyl)pyrimidine-2,4-diamine?
2-N-(2-methylpropyl)pyrimidine-2,4-diamine has a molecular weight of 166.23 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 83695078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).