2-N-cyclopropyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine

C12H20N4 — CID 112882404

IUPAC2-N-cyclopropyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCC(C)CCNc1ccnc(NC2CC2)n1
InChIInChI=1S/C12H20N4/c1-9(2)5-7-13-11-6-8-14-12(16-11)15-10-3-4-10/h6,8-10H,3-5,7H2,1-2H3,(H2,13,14,15,16)
InChIKeyXOYQRHNGLYRJGW-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.51
Rot. Bonds6

About 2-N-cyclopropyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine

2-N-cyclopropyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine (PubChem CID 112882404) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-N-cyclopropyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-cyclopropyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
PubChem CID112882404
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name2-N-cyclopropyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCC(C)CCNc1ccnc(NC2CC2)n1
InChIInChI=1S/C12H20N4/c1-9(2)5-7-13-11-6-8-14-12(16-11)15-10-3-4-10/h6,8-10H,3-5,7H2,1-2H3,(H2,13,14,15,16)
InChIKeyXOYQRHNGLYRJGW-UHFFFAOYSA-N
XLogP2.51
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-cyclopentyl-4-N-(2-methoxyethyl)pyrimidine-2,4-diamine
CID 112884308
4-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine
CID 80765650
4-N-cyclopropyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112867516
2-N,4-N-dicyclopentylpyrimidine-2,4-diamine
CID 112884114
2-N-[2-(4-methoxyphenoxy)ethyl]-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112899521
4-N-cyclopentyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112868668
4-N-[5-chloro-4-[2-(3-methylbutylamino)-4-pyridinyl]pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 123154364
2-N-(2-aminoethyl)-4-N-cyclopropylpyrimidine-2,4-diamine
CID 121204907
4-N-cyclohexyl-2-methyl-6-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 112869040
2-N-cyclohexyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112884954
2-N-(2,6-difluorophenyl)-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112900250
2-N,4-N-bis(3-methylbutyl)-6-(2-phenylcyclobutyl)pyrimidine-2,4-diamine;2-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine
CID 144818020

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-cyclopropyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine (CID 112882404) is 2-N-cyclopropyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-cyclopropyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-cyclopropyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine is CC(C)CCNc1ccnc(NC2CC2)n1.
What is the InChIKey of 2-N-cyclopropyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The InChIKey is XOYQRHNGLYRJGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-9(2)5-7-13-11-6-8-14-12(16-11)15-10-3-4-10/h6,8-10H,3-5,7H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 2-N-cyclopropyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine?
2-N-cyclopropyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine has a molecular weight of 220.32 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112882404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).