4-N-cyclopropylpyrimidine-2,4,6-triamine

C7H11N5 — CID 45485280

IUPAC4-N-cyclopropylpyrimidine-2,4,6-triamine
SMILESNc1cc(NC2CC2)nc(N)n1
InChIInChI=1S/C7H11N5/c8-5-3-6(10-4-1-2-4)12-7(9)11-5/h3-4H,1-2H2,(H5,8,9,10,11,12)
InChIKeyCKTZEFFCNOTJOP-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.22
Rot. Bonds2

About 4-N-cyclopropylpyrimidine-2,4,6-triamine

4-N-cyclopropylpyrimidine-2,4,6-triamine (PubChem CID 45485280) has the molecular formula C7H11N5 and a molecular weight of 165.20 g/mol. Its IUPAC name is 4-N-cyclopropylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-cyclopropylpyrimidine-2,4,6-triamine
PubChem CID45485280
Molecular FormulaC7H11N5
Molecular Weight165.20 g/mol
Exact Mass165.10
IUPAC Name4-N-cyclopropylpyrimidine-2,4,6-triamine
SMILESNc1cc(NC2CC2)nc(N)n1
InChIInChI=1S/C7H11N5/c8-5-3-6(10-4-1-2-4)12-7(9)11-5/h3-4H,1-2H2,(H5,8,9,10,11,12)
InChIKeyCKTZEFFCNOTJOP-UHFFFAOYSA-N
XLogP0.22
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Adriforant
CID 24745335
2,4,6-Triaminopyrimidine
CID 13863
N4-methyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
CID 17773877
2,4-Diamino-6-piperidinopyrimidine
CID 606255
n4-Butyl-6-chloropyrimidine-2,4-diamine
CID 229862
Pyrimidine-4,6-diamine
CID 79608
N4-Methyl-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 25129179
4-N-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
CID 16202258
(R)-N4-isobutyl-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 24745337
(R)-N2-isobutyl-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidine-2,4-diamine
CID 54581940
2,6-difluoro-N-methylpyrimidin-4-amine
CID 3941302
4-N-methyl-6-pyrrolidin-1-ylpyrimidine-2,4-diamine
CID 21749035

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclopropylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-cyclopropylpyrimidine-2,4,6-triamine (CID 45485280) is 4-N-cyclopropylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-cyclopropylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-cyclopropylpyrimidine-2,4,6-triamine is Nc1cc(NC2CC2)nc(N)n1.
What is the InChIKey of 4-N-cyclopropylpyrimidine-2,4,6-triamine?
The InChIKey is CKTZEFFCNOTJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5/c8-5-3-6(10-4-1-2-4)12-7(9)11-5/h3-4H,1-2H2,(H5,8,9,10,11,12).
What are the key properties of 4-N-cyclopropylpyrimidine-2,4,6-triamine?
4-N-cyclopropylpyrimidine-2,4,6-triamine has a molecular weight of 165.20 g/mol, XLogP of 0.22, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopropylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 45485280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).