4-N-butyl-4-N-cyclopropyl-6-N-methylpyrimidine-4,6-diamine

C12H20N4 — CID 80799416

IUPAC4-N-butyl-4-N-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
SMILESCCCCN(c1cc(NC)ncn1)C1CC1
InChIInChI=1S/C12H20N4/c1-3-4-7-16(10-5-6-10)12-8-11(13-2)14-9-15-12/h8-10H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyKCLLWWJUYFOLQF-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.29
Rot. Bonds6

About 4-N-butyl-4-N-cyclopropyl-6-N-methylpyrimidine-4,6-diamine

4-N-butyl-4-N-cyclopropyl-6-N-methylpyrimidine-4,6-diamine (PubChem CID 80799416) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-N-butyl-4-N-cyclopropyl-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butyl-4-N-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
PubChem CID80799416
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name4-N-butyl-4-N-cyclopropyl-6-N-methylpyrimidine-4,6-diamine
SMILESCCCCN(c1cc(NC)ncn1)C1CC1
InChIInChI=1S/C12H20N4/c1-3-4-7-16(10-5-6-10)12-8-11(13-2)14-9-15-12/h8-10H,3-7H2,1-2H3,(H,13,14,15)
InChIKeyKCLLWWJUYFOLQF-UHFFFAOYSA-N
XLogP2.29
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-6-hydrazinyl-N-propylpyrimidin-4-amine
CID 80895552
2-[cyclopentyl-[6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810613
2-[cyclohexyl-[6-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80810817
4-N-cyclopropyl-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80775441
4-N-butyl-4-N-cyclopropyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80799717
2-[cyclopentyl-[6-(methylamino)pyrimidin-4-yl]amino]acetamide
CID 80806902
N-butyl-N-cyclopropyl-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80895719
2-[cyclopentyl-[6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80811058
4-N,4-N-diethyl-6-N-methylpyrimidine-4,6-diamine
CID 80767008
4-N-cyclopentyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80839751
4-N-butyl-4-N-cyclopropyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80799568
N-butyl-N-cyclopropyl-5-(methylaminomethyl)pyridin-2-amine
CID 62283747

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-4-N-cyclopropyl-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-butyl-4-N-cyclopropyl-6-N-methylpyrimidine-4,6-diamine (CID 80799416) is 4-N-butyl-4-N-cyclopropyl-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butyl-4-N-cyclopropyl-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butyl-4-N-cyclopropyl-6-N-methylpyrimidine-4,6-diamine is CCCCN(c1cc(NC)ncn1)C1CC1.
What is the InChIKey of 4-N-butyl-4-N-cyclopropyl-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is KCLLWWJUYFOLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-3-4-7-16(10-5-6-10)12-8-11(13-2)14-9-15-12/h8-10H,3-7H2,1-2H3,(H,13,14,15).
What are the key properties of 4-N-butyl-4-N-cyclopropyl-6-N-methylpyrimidine-4,6-diamine?
4-N-butyl-4-N-cyclopropyl-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 220.32 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-4-N-cyclopropyl-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80799416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).