4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propylpyrimidine-2,4,6-triamine

C13H23N5 — CID 80799090

IUPAC4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propylpyrimidine-2,4,6-triamine
SMILESCCCN(CC1CC1)c1cc(NCC)nc(N)n1
InChIInChI=1S/C13H23N5/c1-3-7-18(9-10-5-6-10)12-8-11(15-4-2)16-13(14)17-12/h8,10H,3-7,9H2,1-2H3,(H3,14,15,16,17)
InChIKeyCGCBBZMGSHVHCC-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.12
Rot. Bonds7

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

4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propylpyrimidine-2,4,6-triamine (PubChem CID 80799090) 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-propylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propylpyrimidine-2,4,6-triamine
PubChem CID80799090
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propylpyrimidine-2,4,6-triamine
SMILESCCCN(CC1CC1)c1cc(NCC)nc(N)n1
InChIInChI=1S/C13H23N5/c1-3-7-18(9-10-5-6-10)12-8-11(15-4-2)16-13(14)17-12/h8,10H,3-7,9H2,1-2H3,(H3,14,15,16,17)
InChIKeyCGCBBZMGSHVHCC-UHFFFAOYSA-N
XLogP2.12
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
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

6-chloro-4-N-(cyclopropylmethyl)-4-N-propylpyrimidine-2,4-diamine
CID 80735508
4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine
CID 80820583
4-N-(cyclobutylmethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine
CID 80825415
4-N,4-N,6-N-triethylpyrimidine-2,4,6-triamine
CID 80767083
4-N-(cyclohexylmethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine
CID 80799499
4-N-(cyclopropylmethyl)-6-N,2-dimethyl-4-N-propylpyrimidine-4,6-diamine
CID 80800000
4-N-ethyl-6-hydrazinyl-4-N-propylpyrimidine-2,4-diamine
CID 80944737
4-N-(cyclopropylmethyl)-4-N,6-N-diethyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772085
4-N-[3-(dimethylamino)propyl]-4-N,6-N-diethylpyrimidine-2,4,6-triamine
CID 102998829
4-N-(1-cyclopropylethyl)-6-N-ethyl-4-N-methylpyrimidine-2,4,6-triamine
CID 80793610
4-N,4-N-bis(cyclopropylmethyl)-6-N-ethylpyrimidine-4,6-diamine
CID 80835345
2-[[2-cyclopropyl-6-(ethylamino)pyrimidin-4-yl]-propylamino]ethanol
CID 80961332

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propylpyrimidine-2,4,6-triamine (CID 80799090) is 4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propylpyrimidine-2,4,6-triamine is CCCN(CC1CC1)c1cc(NCC)nc(N)n1.
What is the InChIKey of 4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propylpyrimidine-2,4,6-triamine?
The InChIKey is CGCBBZMGSHVHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-3-7-18(9-10-5-6-10)12-8-11(15-4-2)16-13(14)17-12/h8,10H,3-7,9H2,1-2H3,(H3,14,15,16,17).
What are the key properties of 4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propylpyrimidine-2,4,6-triamine?
4-N-(cyclopropylmethyl)-6-N-ethyl-4-N-propylpyrimidine-2,4,6-triamine has a molecular weight of 249.36 g/mol, XLogP of 2.12, 7 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-propylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80799090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).