4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine

C9H15N5 — CID 80766375

IUPAC4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(NC2CC2)nc(N)n1
InChIInChI=1S/C9H15N5/c1-2-11-7-5-8(12-6-3-4-6)14-9(10)13-7/h5-6H,2-4H2,1H3,(H4,10,11,12,13,14)
InChIKeySVXZIXSKIBBMPJ-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.06
Rot. Bonds4

About 4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine

4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine (PubChem CID 80766375) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine
PubChem CID80766375
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(NC2CC2)nc(N)n1
InChIInChI=1S/C9H15N5/c1-2-11-7-5-8(12-6-3-4-6)14-9(10)13-7/h5-6H,2-4H2,1H3,(H4,10,11,12,13,14)
InChIKeySVXZIXSKIBBMPJ-UHFFFAOYSA-N
XLogP1.06
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(3,5-dimethylcyclohexyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80840975
4-N-cyclohexyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80765080
6-N-propyl-4-N-(4-propylcyclohexyl)pyrimidine-2,4,6-triamine
CID 80782611
4-N-(4-ethylcyclohexyl)-6-N-methylpyrimidine-2,4,6-triamine
CID 80803663
2-cyclopropyl-6-N-ethyl-4-N-(4-methylcyclohexyl)pyrimidine-4,6-diamine
CID 80968126
4-N-(2,2-dimethylcyclopentyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80850169
4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80769889
4-N-cyclooctyl-6-N,2-diethylpyrimidine-4,6-diamine
CID 80933432
4-N-(cyclohexylmethyl)-6-N-ethylpyrimidine-2,4,6-triamine
CID 80783942
4-N-[2-[cyclopropyl(methyl)amino]ethyl]-6-N-ethylpyrimidine-2,4,6-triamine
CID 80823298
4-N-cyclobutyl-6-N-ethyl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80826222
3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
CID 106258583

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine (CID 80766375) is 4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine is CCNc1cc(NC2CC2)nc(N)n1.
What is the InChIKey of 4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine?
The InChIKey is SVXZIXSKIBBMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c1-2-11-7-5-8(12-6-3-4-6)14-9(10)13-7/h5-6H,2-4H2,1H3,(H4,10,11,12,13,14).
What are the key properties of 4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine?
4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine has a molecular weight of 193.25 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropyl-6-N-ethylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80766375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).