4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine

C13H23N5 — CID 80820583

IUPAC4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(N(CC2CC2)C(C)C)nc(N)n1
InChIInChI=1S/C13H23N5/c1-4-15-11-7-12(17-13(14)16-11)18(9(2)3)8-10-5-6-10/h7,9-10H,4-6,8H2,1-3H3,(H3,14,15,16,17)
InChIKeyWIYDWLMUJCBOGR-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.12
Rot. Bonds6

About 4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine

4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine (PubChem CID 80820583) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine
PubChem CID80820583
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine
SMILESCCNc1cc(N(CC2CC2)C(C)C)nc(N)n1
InChIInChI=1S/C13H23N5/c1-4-15-11-7-12(17-13(14)16-11)18(9(2)3)8-10-5-6-10/h7,9-10H,4-6,8H2,1-3H3,(H3,14,15,16,17)
InChIKeyWIYDWLMUJCBOGR-UHFFFAOYSA-N
XLogP2.12
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-tert-butyl-4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80961049
4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propylpyrimidine-2,4,6-triamine
CID 80799090
4-N-(cyclobutylmethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine
CID 80825415
4-N-(cyclohexylmethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine
CID 80799499
N-(cyclopropylmethyl)-6-hydrazinyl-2-methyl-N-propan-2-ylpyrimidin-4-amine
CID 80905091
4-N-benzyl-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine
CID 80757098
4-N-(1-cyclopropylethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine
CID 80793610
4-N-(cyclopropylmethyl)-2-N-ethyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 80821555
4-N-(cyclopropylmethyl)-6-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80821545
4-N,4-N,6-N-triethylpyrimidine-2,4,6-triamine
CID 80767083
6-N-ethyl-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4,6-triamine
CID 80820365
6-N-methyl-4-N-propan-2-yl-4-N-propylpyrimidine-2,4,6-triamine
CID 80775715

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine (CID 80820583) is 4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine is CCNc1cc(N(CC2CC2)C(C)C)nc(N)n1.
What is the InChIKey of 4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine?
The InChIKey is WIYDWLMUJCBOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-4-15-11-7-12(17-13(14)16-11)18(9(2)3)8-10-5-6-10/h7,9-10H,4-6,8H2,1-3H3,(H3,14,15,16,17).
What are the key properties of 4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine?
4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine has a molecular weight of 249.36 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80820583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).