5-propan-2-yl-4-N-(2-propylcyclopropyl)pyrimidine-4,6-diamine

C13H22N4 — CID 114112585

IUPAC5-propan-2-yl-4-N-(2-propylcyclopropyl)pyrimidine-4,6-diamine
SMILESCCCC1CC1Nc1ncnc(N)c1C(C)C
InChIInChI=1S/C13H22N4/c1-4-5-9-6-10(9)17-13-11(8(2)3)12(14)15-7-16-13/h7-10H,4-6H2,1-3H3,(H3,14,15,16,17)
InChIKeyUDVJMDHZIMXOFP-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.78
Rot. Bonds5

About 5-propan-2-yl-4-N-(2-propylcyclopropyl)pyrimidine-4,6-diamine

5-propan-2-yl-4-N-(2-propylcyclopropyl)pyrimidine-4,6-diamine (PubChem CID 114112585) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 5-propan-2-yl-4-N-(2-propylcyclopropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-propan-2-yl-4-N-(2-propylcyclopropyl)pyrimidine-4,6-diamine
PubChem CID114112585
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name5-propan-2-yl-4-N-(2-propylcyclopropyl)pyrimidine-4,6-diamine
SMILESCCCC1CC1Nc1ncnc(N)c1C(C)C
InChIInChI=1S/C13H22N4/c1-4-5-9-6-10(9)17-13-11(8(2)3)12(14)15-7-16-13/h7-10H,4-6H2,1-3H3,(H3,14,15,16,17)
InChIKeyUDVJMDHZIMXOFP-UHFFFAOYSA-N
XLogP2.78
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(2-Amino-1-cyclohexyl-ethyl)-piperazin-1-yl]-5-ethyl-pyrimidin-4-ylamine
CID 89445519
N4-cyclopropyl-5-ethyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 154815494
N4-cyclopropyl-5-ethyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
CID 154815495
N-cyclopentyl-N'-(5,6-dimethylpyrimidin-4-yl)-N-methylpropane-1,3-diamine
CID 72892795
4-N-cyclohexyl-5-(2,2,2-trifluoroethanimidoyl)pyrimidine-4,6-diamine
CID 142292803
5-[2-fluoro-1-(methylamino)prop-2-enyl]-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 143924821
5-Cyclopropyl-6-(2,9-diazaspiro[4.5]decan-2-yl)pyrimidin-4-amine
CID 134841519
5-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80777392
5-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80784895
5-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80785534
6-N-ethyl-5-propan-2-yl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80785541
6-N,5-diethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-4,6-diamine
CID 80785912

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-4-N-(2-propylcyclopropyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-propan-2-yl-4-N-(2-propylcyclopropyl)pyrimidine-4,6-diamine (CID 114112585) is 5-propan-2-yl-4-N-(2-propylcyclopropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-propan-2-yl-4-N-(2-propylcyclopropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-propan-2-yl-4-N-(2-propylcyclopropyl)pyrimidine-4,6-diamine is CCCC1CC1Nc1ncnc(N)c1C(C)C.
What is the InChIKey of 5-propan-2-yl-4-N-(2-propylcyclopropyl)pyrimidine-4,6-diamine?
The InChIKey is UDVJMDHZIMXOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-4-5-9-6-10(9)17-13-11(8(2)3)12(14)15-7-16-13/h7-10H,4-6H2,1-3H3,(H3,14,15,16,17).
What are the key properties of 5-propan-2-yl-4-N-(2-propylcyclopropyl)pyrimidine-4,6-diamine?
5-propan-2-yl-4-N-(2-propylcyclopropyl)pyrimidine-4,6-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-4-N-(2-propylcyclopropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 114112585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).