2-cyclopropyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine

C16H28N4 — CID 80959517

IUPAC2-cyclopropyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine
SMILESCCC(CC)N(CC(C)C)c1cc(N)nc(C2CC2)n1
InChIInChI=1S/C16H28N4/c1-5-13(6-2)20(10-11(3)4)15-9-14(17)18-16(19-15)12-7-8-12/h9,11-13H,5-8,10H2,1-4H3,(H2,17,18,19)
InChIKeyOMCMSMJMXIQTJH-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.59
Rot. Bonds7

About 2-cyclopropyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine

2-cyclopropyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine (PubChem CID 80959517) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine
PubChem CID80959517
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name2-cyclopropyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine
SMILESCCC(CC)N(CC(C)C)c1cc(N)nc(C2CC2)n1
InChIInChI=1S/C16H28N4/c1-5-13(6-2)20(10-11(3)4)15-9-14(17)18-16(19-15)12-7-8-12/h9,11-13H,5-8,10H2,1-4H3,(H2,17,18,19)
InChIKeyOMCMSMJMXIQTJH-UHFFFAOYSA-N
XLogP3.59
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-6-hydrazinyl-N-(2-methylpropyl)-N-pentan-3-ylpyrimidin-4-amine
CID 80968796
2-cyclopropyl-4-N-methyl-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80967434
2-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80849271
2-cyclopropyl-4-N-ethyl-4-N-(2-methylbutyl)pyrimidine-4,6-diamine
CID 80959981
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
2-cyclopropyl-4-N-methyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80956522
2-[(6-amino-2-cyclopropylpyrimidin-4-yl)-propan-2-ylamino]acetamide
CID 80962125
6-butan-2-yl-2-cyclopropylpyrimidin-4-amine
CID 122238996
6-methyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-2,4-diamine
CID 80849194
2-cyclopropyl-4-N-(1-cyclopropylethyl)-4-N-methylpyrimidine-4,6-diamine
CID 80967075
4-N-[(2S)-butan-2-yl]-2-cyclopropylpyrimidine-4,6-diamine
CID 129372160

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine (CID 80959517) is 2-cyclopropyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine is CCC(CC)N(CC(C)C)c1cc(N)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine?
The InChIKey is OMCMSMJMXIQTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-5-13(6-2)20(10-11(3)4)15-9-14(17)18-16(19-15)12-7-8-12/h9,11-13H,5-8,10H2,1-4H3,(H2,17,18,19).
What are the key properties of 2-cyclopropyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine?
2-cyclopropyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine has a molecular weight of 276.43 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-(2-methylpropyl)-4-N-pentan-3-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80959517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).