4-N-butyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine

C13H22N4 — CID 80799495

IUPAC4-N-butyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine
SMILESCCCCN(c1ccnc(NCC)n1)C1CC1
InChIInChI=1S/C13H22N4/c1-3-5-10-17(11-6-7-11)12-8-9-15-13(16-12)14-4-2/h8-9,11H,3-7,10H2,1-2H3,(H,14,15,16)
InChIKeyRBZCPMHDAJDIIR-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.68
Rot. Bonds7

About 4-N-butyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine

4-N-butyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine (PubChem CID 80799495) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-N-butyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-butyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine
PubChem CID80799495
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-N-butyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine
SMILESCCCCN(c1ccnc(NCC)n1)C1CC1
InChIInChI=1S/C13H22N4/c1-3-5-10-17(11-6-7-11)12-8-9-15-13(16-12)14-4-2/h8-9,11H,3-7,10H2,1-2H3,(H,14,15,16)
InChIKeyRBZCPMHDAJDIIR-UHFFFAOYSA-N
XLogP2.68
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclopropyl-2-N,4-N-diethylpyrimidine-2,4-diamine
CID 80776397
4-N-cyclopropyl-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80815200
N-butyl-2-chloro-N-cyclopropylpyrimidin-4-amine
CID 62342855
2-N-ethyl-4-N-methyl-4-N-(4-methylcyclohexyl)pyrimidine-2,4-diamine
CID 80799591
2-N-ethyl-4-N-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 80783451
2-N-ethyl-4-N-(4-ethylcyclohexyl)-4-N-methylpyrimidine-2,4-diamine
CID 80808665
N'-cyclopropyl-N'-(2-methylpyrimidin-4-yl)propane-1,3-diamine
CID 62785297
2-N,4-N,4-N-triethylpyrimidine-2,4-diamine
CID 80766535
2-N-butyl-2-N-cyclopropyl-6-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80799249
4-N-cyclopentyl-4-N-(2-methylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80854535
4-N-butyl-4-N-cyclopropyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 80799717
2-N-ethyl-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 80840076

Frequently Asked Questions

What is the IUPAC name of 4-N-butyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-butyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine (CID 80799495) is 4-N-butyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-butyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-butyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine is CCCCN(c1ccnc(NCC)n1)C1CC1.
What is the InChIKey of 4-N-butyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine?
The InChIKey is RBZCPMHDAJDIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-5-10-17(11-6-7-11)12-8-9-15-13(16-12)14-4-2/h8-9,11H,3-7,10H2,1-2H3,(H,14,15,16).
What are the key properties of 4-N-butyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine?
4-N-butyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butyl-4-N-cyclopropyl-2-N-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80799495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).