4-N-butyl-4-N-cyclopropyl-5-methylpyrimidine-4,6-diamine

C12H20N4 — CID 80799335

IUPAC4-N-butyl-4-N-cyclopropyl-5-methylpyrimidine-4,6-diamine
SMILESCCCCN(c1ncnc(N)c1C)C1CC1
InChIInChI=1S/C12H20N4/c1-3-4-7-16(10-5-6-10)12-9(2)11(13)14-8-15-12/h8,10H,3-7H2,1-2H3,(H2,13,14,15)
InChIKeyRGHJTYKUGJVFDN-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.14
Rot. Bonds5

About 4-N-butyl-4-N-cyclopropyl-5-methylpyrimidine-4,6-diamine

4-N-butyl-4-N-cyclopropyl-5-methylpyrimidine-4,6-diamine (PubChem CID 80799335) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-N-butyl-4-N-cyclopropyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butyl-4-N-cyclopropyl-5-methylpyrimidine-4,6-diamine
PubChem CID80799335
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name4-N-butyl-4-N-cyclopropyl-5-methylpyrimidine-4,6-diamine
SMILESCCCCN(c1ncnc(N)c1C)C1CC1
InChIInChI=1S/C12H20N4/c1-3-4-7-16(10-5-6-10)12-9(2)11(13)14-8-15-12/h8,10H,3-7H2,1-2H3,(H2,13,14,15)
InChIKeyRGHJTYKUGJVFDN-UHFFFAOYSA-N
XLogP2.14
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclopropyl-4-N,5-dipropylpyrimidine-4,6-diamine
CID 80774677
4-N-cyclopropyl-5-methyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80809461
2-[(6-amino-5-ethylpyrimidin-4-yl)-cyclopropylamino]ethanol
CID 80810039
3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
CID 102875507
4-[butyl(cyclopropyl)amino]-6-chloropyrimidine-5-carbaldehyde
CID 66334983
5-N-butyl-5-N-cyclopropyl-4-methyl-1,2-thiazole-3,5-diamine
CID 103360824
4-N-(6-ethoxy-5-methylpyrimidin-4-yl)-4-N-propylcyclohexane-1,4-diamine
CID 79117886
2-[(6-amino-5-methylpyrimidin-4-yl)-butylamino]acetamide
CID 80821350
3-(2-aminopropyl)-N-butyl-N-cyclopropylpyridin-2-amine
CID 114057413
N-butyl-6-chloro-N-cyclopropyl-4,5-dimethylpyridazin-3-amine
CID 63271810
3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclopropylamino]propanenitrile
CID 80811362
[2-[butyl(cyclopropyl)amino]-3-pyridinyl]methanol
CID 61445710

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-4-N-cyclopropyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-butyl-4-N-cyclopropyl-5-methylpyrimidine-4,6-diamine (CID 80799335) is 4-N-butyl-4-N-cyclopropyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butyl-4-N-cyclopropyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butyl-4-N-cyclopropyl-5-methylpyrimidine-4,6-diamine is CCCCN(c1ncnc(N)c1C)C1CC1.
What is the InChIKey of 4-N-butyl-4-N-cyclopropyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is RGHJTYKUGJVFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-3-4-7-16(10-5-6-10)12-9(2)11(13)14-8-15-12/h8,10H,3-7H2,1-2H3,(H2,13,14,15).
What are the key properties of 4-N-butyl-4-N-cyclopropyl-5-methylpyrimidine-4,6-diamine?
4-N-butyl-4-N-cyclopropyl-5-methylpyrimidine-4,6-diamine has a molecular weight of 220.32 g/mol, XLogP of 2.14, 5 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-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80799335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).