4-N-butan-2-yl-2-cyclopropyl-5-methylpyrimidine-4,6-diamine

C12H20N4 — CID 80980857

IUPAC4-N-butan-2-yl-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
SMILESCCC(C)Nc1nc(C2CC2)nc(N)c1C
InChIInChI=1S/C12H20N4/c1-4-7(2)14-11-8(3)10(13)15-12(16-11)9-5-6-9/h7,9H,4-6H2,1-3H3,(H3,13,14,15,16)
InChIKeyCLQNSGPITPJMHT-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.46
Rot. Bonds4

About 4-N-butan-2-yl-2-cyclopropyl-5-methylpyrimidine-4,6-diamine

4-N-butan-2-yl-2-cyclopropyl-5-methylpyrimidine-4,6-diamine (PubChem CID 80980857) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-N-butan-2-yl-2-cyclopropyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
PubChem CID80980857
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name4-N-butan-2-yl-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
SMILESCCC(C)Nc1nc(C2CC2)nc(N)c1C
InChIInChI=1S/C12H20N4/c1-4-7(2)14-11-8(3)10(13)15-12(16-11)9-5-6-9/h7,9H,4-6H2,1-3H3,(H3,13,14,15,16)
InChIKeyCLQNSGPITPJMHT-UHFFFAOYSA-N
XLogP2.46
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-butan-2-yl-2-cyclopropyl-5-methylpyrimidine-4,6-diamine with MolForge

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Related Compounds

2-cyclopropyl-5-methyl-4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-4,6-diamine
CID 80984662
4-N-(1-cyclopentylethyl)-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 80983559
2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-propylpropanamide
CID 80986210
2-cyclopropyl-5-methyl-4-N-(1-thiophen-2-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80985188
2-[(6-amino-2-cyclopropyl-5-methylpyrimidin-4-yl)amino]-N-methylpropanamide
CID 80986199
4-N-[(2S)-butan-2-yl]-2-cyclopropylpyrimidine-4,6-diamine
CID 129372160
2-cyclopropyl-4-N-(2-methoxypropyl)-5-methylpyrimidine-4,6-diamine
CID 102701899
2-cyclopropyl-5-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)pyrimidine-4,6-diamine
CID 80985077
2-cyclopropyl-6-hydrazinyl-5-methyl-N-propan-2-ylpyrimidin-4-amine
CID 81000903
2-cyclopropyl-5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine
CID 104592555
N-butan-2-yl-6-chloro-2-cyclopropyl-5-nitropyrimidin-4-amine
CID 82459020
2-cyclopropyl-5-methyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]pyrimidine-4,6-diamine
CID 80984520

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-2-cyclopropyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-butan-2-yl-2-cyclopropyl-5-methylpyrimidine-4,6-diamine (CID 80980857) is 4-N-butan-2-yl-2-cyclopropyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butan-2-yl-2-cyclopropyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butan-2-yl-2-cyclopropyl-5-methylpyrimidine-4,6-diamine is CCC(C)Nc1nc(C2CC2)nc(N)c1C.
What is the InChIKey of 4-N-butan-2-yl-2-cyclopropyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is CLQNSGPITPJMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-4-7(2)14-11-8(3)10(13)15-12(16-11)9-5-6-9/h7,9H,4-6H2,1-3H3,(H3,13,14,15,16).
What are the key properties of 4-N-butan-2-yl-2-cyclopropyl-5-methylpyrimidine-4,6-diamine?
4-N-butan-2-yl-2-cyclopropyl-5-methylpyrimidine-4,6-diamine has a molecular weight of 220.32 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-2-cyclopropyl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 80980857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).