2-cyclopropyl-4-N-(1-cyclopropylethyl)-4-N-methylpyrimidine-4,6-diamine

C13H20N4 — CID 80967075

IUPAC2-cyclopropyl-4-N-(1-cyclopropylethyl)-4-N-methylpyrimidine-4,6-diamine
SMILESCC(C1CC1)N(C)c1cc(N)nc(C2CC2)n1
InChIInChI=1S/C13H20N4/c1-8(9-3-4-9)17(2)12-7-11(14)15-13(16-12)10-5-6-10/h7-10H,3-6H2,1-2H3,(H2,14,15,16)
InChIKeyUAABEJMSJQKTFG-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.17
Rot. Bonds4

About 2-cyclopropyl-4-N-(1-cyclopropylethyl)-4-N-methylpyrimidine-4,6-diamine

2-cyclopropyl-4-N-(1-cyclopropylethyl)-4-N-methylpyrimidine-4,6-diamine (PubChem CID 80967075) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-(1-cyclopropylethyl)-4-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-(1-cyclopropylethyl)-4-N-methylpyrimidine-4,6-diamine
PubChem CID80967075
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name2-cyclopropyl-4-N-(1-cyclopropylethyl)-4-N-methylpyrimidine-4,6-diamine
SMILESCC(C1CC1)N(C)c1cc(N)nc(C2CC2)n1
InChIInChI=1S/C13H20N4/c1-8(9-3-4-9)17(2)12-7-11(14)15-13(16-12)10-5-6-10/h7-10H,3-6H2,1-2H3,(H2,14,15,16)
InChIKeyUAABEJMSJQKTFG-UHFFFAOYSA-N
XLogP2.17
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-N-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80956522
2-cyclopropyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80967434
6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine
CID 65400159
2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80960605
2-cyclopropyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80959517
2-cyclopropyl-4-N-ethyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine
CID 80959981
N-(1-cyclopropylethyl)-N,2,6-trimethylpyrimidin-4-amine
CID 42949489
2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-propan-2-ylamino]acetamide
CID 80962125
2-cyclopropyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80959909
2-cyclopropyl-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,6-diamine
CID 80961398
2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-(2-methylpropyl)amino]acetamide
CID 80961509
3-[[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80958777

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-(1-cyclopropylethyl)-4-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-(1-cyclopropylethyl)-4-N-methylpyrimidine-4,6-diamine (CID 80967075) is 2-cyclopropyl-4-N-(1-cyclopropylethyl)-4-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-(1-cyclopropylethyl)-4-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-(1-cyclopropylethyl)-4-N-methylpyrimidine-4,6-diamine is CC(C1CC1)N(C)c1cc(N)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-N-(1-cyclopropylethyl)-4-N-methylpyrimidine-4,6-diamine?
The InChIKey is UAABEJMSJQKTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-8(9-3-4-9)17(2)12-7-11(14)15-13(16-12)10-5-6-10/h7-10H,3-6H2,1-2H3,(H2,14,15,16).
What are the key properties of 2-cyclopropyl-4-N-(1-cyclopropylethyl)-4-N-methylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-(1-cyclopropylethyl)-4-N-methylpyrimidine-4,6-diamine has a molecular weight of 232.33 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-(1-cyclopropylethyl)-4-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80967075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).