4-N-butan-2-yl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine

C13H24N4 — CID 112883545

IUPAC4-N-butan-2-yl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCCC(C)Nc1ccnc(NCCC(C)C)n1
InChIInChI=1S/C13H24N4/c1-5-11(4)16-12-7-9-15-13(17-12)14-8-6-10(2)3/h7,9-11H,5-6,8H2,1-4H3,(H2,14,15,16,17)
InChIKeyVXRDMDYKJMTJNK-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.14
Rot. Bonds7

About 4-N-butan-2-yl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine

4-N-butan-2-yl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine (PubChem CID 112883545) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-N-butan-2-yl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
PubChem CID112883545
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name4-N-butan-2-yl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCCC(C)Nc1ccnc(NCCC(C)C)n1
InChIInChI=1S/C13H24N4/c1-5-11(4)16-12-7-9-15-13(17-12)14-8-6-10(2)3/h7,9-11H,5-6,8H2,1-4H3,(H2,14,15,16,17)
InChIKeyVXRDMDYKJMTJNK-UHFFFAOYSA-N
XLogP3.14
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,4-N-di(butan-2-yl)pyrimidine-2,4-diamine
CID 112883470
4-N-butan-2-yl-2-N-[2-(4-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 112883509
3-[[2-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83180272
4-N-butan-2-yl-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112883512
4-N-butan-2-yl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112883503
4-N-butan-2-yl-2-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112883490
4-N-butan-2-yl-2-N-(furan-2-ylmethyl)pyrimidine-2,4-diamine
CID 112883488
4-N-(1-phenylpropan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80830735
4-[[2-(3-methylbutylamino)pyrimidin-4-yl]amino]benzoic acid
CID 113193825
4-N-[4-(dimethylamino)butan-2-yl]-2-N-ethylpyrimidine-2,4-diamine
CID 80807193
2-N-ethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 80765362
2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112899521

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-butan-2-yl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine (CID 112883545) is 4-N-butan-2-yl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butan-2-yl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butan-2-yl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine is CCC(C)Nc1ccnc(NCCC(C)C)n1.
What is the InChIKey of 4-N-butan-2-yl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The InChIKey is VXRDMDYKJMTJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-5-11(4)16-12-7-9-15-13(17-12)14-8-6-10(2)3/h7,9-11H,5-6,8H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 4-N-butan-2-yl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine?
4-N-butan-2-yl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine has a molecular weight of 236.36 g/mol, XLogP of 3.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112883545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).