2-cyclopropyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-4,6-diamine

C13H22N4 — CID 80967434

IUPAC2-cyclopropyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-4,6-diamine
SMILESCCC(CC)N(C)c1cc(N)nc(C2CC2)n1
InChIInChI=1S/C13H22N4/c1-4-10(5-2)17(3)12-8-11(14)15-13(16-12)9-6-7-9/h8-10H,4-7H2,1-3H3,(H2,14,15,16)
InChIKeyILWIVHAQDNDVRD-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.56
Rot. Bonds5

About 2-cyclopropyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-4,6-diamine

2-cyclopropyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-4,6-diamine (PubChem CID 80967434) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-4,6-diamine
PubChem CID80967434
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name2-cyclopropyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-4,6-diamine
SMILESCCC(CC)N(C)c1cc(N)nc(C2CC2)n1
InChIInChI=1S/C13H22N4/c1-4-10(5-2)17(3)12-8-11(14)15-13(16-12)9-6-7-9/h8-10H,4-7H2,1-3H3,(H2,14,15,16)
InChIKeyILWIVHAQDNDVRD-UHFFFAOYSA-N
XLogP2.56
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.56
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-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80959517
2-cyclopropyl-4-N-(1-cyclopropylethyl)-4-N-methylpyrimidine-4,6-diamine
CID 80967075
2-cyclopropyl-4-N-ethyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine
CID 80959981
6-butan-2-yl-2-cyclopropylpyrimidin-4-amine
CID 122238996
2-cyclopropyl-4-N-methyl-4-N-(2-methylsulfonylethyl)pyrimidine-4,6-diamine
CID 80959909
2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]-N-propan-2-ylacetamide
CID 80960605
2-cyclopropyl-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,6-diamine
CID 80961398
3-[[(6-amino-2-cyclopropylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80958777
4-N-[(2S)-butan-2-yl]-2-cyclopropylpyrimidine-4,6-diamine
CID 129372160
2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-propan-2-ylamino]acetamide
CID 80962125
2-cyclopropyl-4-N-ethyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine
CID 80958111

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-4,6-diamine (CID 80967434) is 2-cyclopropyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-4,6-diamine is CCC(CC)N(C)c1cc(N)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-4,6-diamine?
The InChIKey is ILWIVHAQDNDVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-4-10(5-2)17(3)12-8-11(14)15-13(16-12)9-6-7-9/h8-10H,4-7H2,1-3H3,(H2,14,15,16).
What are the key properties of 2-cyclopropyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-4,6-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80967434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).