5-(1-aminocyclopropyl)-2,6-dimethylpyrimidin-4-amine

C9H14N4 — CID 55295876

IUPAC5-(1-aminocyclopropyl)-2,6-dimethylpyrimidin-4-amine
SMILESCc1nc(C)c(C2(N)CC2)c(N)n1
InChIInChI=1S/C9H14N4/c1-5-7(9(11)3-4-9)8(10)13-6(2)12-5/h3-4,11H2,1-2H3,(H2,10,12,13)
InChIKeyCRSBEVCUBJWZPO-UHFFFAOYSA-N
MW178.24 g/mol
LogP0.62
Rot. Bonds1

About 5-(1-aminocyclopropyl)-2,6-dimethylpyrimidin-4-amine

5-(1-aminocyclopropyl)-2,6-dimethylpyrimidin-4-amine (PubChem CID 55295876) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is 5-(1-aminocyclopropyl)-2,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(1-aminocyclopropyl)-2,6-dimethylpyrimidin-4-amine
PubChem CID55295876
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name5-(1-aminocyclopropyl)-2,6-dimethylpyrimidin-4-amine
SMILESCc1nc(C)c(C2(N)CC2)c(N)n1
InChIInChI=1S/C9H14N4/c1-5-7(9(11)3-4-9)8(10)13-6(2)12-5/h3-4,11H2,1-2H3,(H2,10,12,13)
InChIKeyCRSBEVCUBJWZPO-UHFFFAOYSA-N
XLogP0.62
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5,6,7,8-Tetrahydroquinazoline-2,4-diamine
CID 74696
4-N,5-dibutyl-6-methylpyrimidine-2,4-diamine
CID 135271003
4-N-butyl-6-methyl-5-pentylpyrimidine-2,4-diamine
CID 135271007
5-[3-(azepan-1-yl)propyl]-4-N-butyl-6-methylpyrimidine-2,4-diamine
CID 135271008
4-N-butyl-5-[3-(dimethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 135271012
4-N-butyl-5-[3-(diethylamino)propyl]-6-methylpyrimidine-2,4-diamine
CID 135271022
4-N-butyl-6-methyl-5-(3-piperidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 135271028
4-N-butyl-6-methyl-5-(3-pyrrolidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 135271038
5-(5-aminopentyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine;dihydrochloride
CID 155512682
5-(4-aminobutyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine;dihydrochloride
CID 155543587
5-(3-aminopropyl)-4-N-butyl-6-methylpyrimidine-2,4-diamine;dihydrochloride
CID 135260422
2,4-Diamino-5-cyclohexyl-6-methylpyrimidine
CID 169849

Frequently Asked Questions

What is the IUPAC name of 5-(1-aminocyclopropyl)-2,6-dimethylpyrimidin-4-amine?
The IUPAC name of 5-(1-aminocyclopropyl)-2,6-dimethylpyrimidin-4-amine (CID 55295876) is 5-(1-aminocyclopropyl)-2,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 5-(1-aminocyclopropyl)-2,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 5-(1-aminocyclopropyl)-2,6-dimethylpyrimidin-4-amine is Cc1nc(C)c(C2(N)CC2)c(N)n1.
What is the InChIKey of 5-(1-aminocyclopropyl)-2,6-dimethylpyrimidin-4-amine?
The InChIKey is CRSBEVCUBJWZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4/c1-5-7(9(11)3-4-9)8(10)13-6(2)12-5/h3-4,11H2,1-2H3,(H2,10,12,13).
What are the key properties of 5-(1-aminocyclopropyl)-2,6-dimethylpyrimidin-4-amine?
5-(1-aminocyclopropyl)-2,6-dimethylpyrimidin-4-amine has a molecular weight of 178.24 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminocyclopropyl)-2,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 55295876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).