2-N-butan-2-yl-4-N-cycloheptylpyrimidine-2,4-diamine

C15H26N4 — CID 112883736

IUPAC2-N-butan-2-yl-4-N-cycloheptylpyrimidine-2,4-diamine
SMILESCCC(C)Nc1nccc(NC2CCCCCC2)n1
InChIInChI=1S/C15H26N4/c1-3-12(2)17-15-16-11-10-14(19-15)18-13-8-6-4-5-7-9-13/h10-13H,3-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyKJVLKYJEUWNDKE-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.82
Rot. Bonds5

About 2-N-butan-2-yl-4-N-cycloheptylpyrimidine-2,4-diamine

2-N-butan-2-yl-4-N-cycloheptylpyrimidine-2,4-diamine (PubChem CID 112883736) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-N-butan-2-yl-4-N-cycloheptylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-butan-2-yl-4-N-cycloheptylpyrimidine-2,4-diamine
PubChem CID112883736
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC Name2-N-butan-2-yl-4-N-cycloheptylpyrimidine-2,4-diamine
SMILESCCC(C)Nc1nccc(NC2CCCCCC2)n1
InChIInChI=1S/C15H26N4/c1-3-12(2)17-15-16-11-10-14(19-15)18-13-8-6-4-5-7-9-13/h10-13H,3-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyKJVLKYJEUWNDKE-UHFFFAOYSA-N
XLogP3.82
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.82
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
2-N,4-N-dicyclopentylpyrimidine-2,4-diamine
CID 112884114
2-N-butan-2-yl-4-N-(4-piperidin-1-ylphenyl)pyrimidine-2,4-diamine
CID 112883773
4-(azepan-1-yl)-N-butan-2-ylpyrimidin-2-amine
CID 112883747
4-N-cycloheptyl-2-N-(4-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112899906
4-N-cycloheptyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112899886
4-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine
CID 80765650
4-N-cyclohexyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 112882659
ethyl 4-[[4-(butan-2-ylamino)pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 112883526
4-N-benzyl-2-N-butan-2-ylpyrimidine-2,4-diamine
CID 112883682
4-N-cycloheptyl-2-N-(2-ethoxyphenyl)pyrimidine-2,4-diamine
CID 112899905
N-cyclobutyl-2-methylpyrimidin-4-amine
CID 62784547

Frequently Asked Questions

What is the IUPAC name of 2-N-butan-2-yl-4-N-cycloheptylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-butan-2-yl-4-N-cycloheptylpyrimidine-2,4-diamine (CID 112883736) is 2-N-butan-2-yl-4-N-cycloheptylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-butan-2-yl-4-N-cycloheptylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-butan-2-yl-4-N-cycloheptylpyrimidine-2,4-diamine is CCC(C)Nc1nccc(NC2CCCCCC2)n1.
What is the InChIKey of 2-N-butan-2-yl-4-N-cycloheptylpyrimidine-2,4-diamine?
The InChIKey is KJVLKYJEUWNDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-3-12(2)17-15-16-11-10-14(19-15)18-13-8-6-4-5-7-9-13/h10-13H,3-9H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-N-butan-2-yl-4-N-cycloheptylpyrimidine-2,4-diamine?
2-N-butan-2-yl-4-N-cycloheptylpyrimidine-2,4-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butan-2-yl-4-N-cycloheptylpyrimidine-2,4-diamine is sourced from PubChem (CID 112883736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).