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

C13H25N5 — CID 80776357

IUPAC4-N-ethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(N(CC)CC(C)C)nc(N)n1
InChIInChI=1S/C13H25N5/c1-5-7-15-11-8-12(17-13(14)16-11)18(6-2)9-10(3)4/h8,10H,5-7,9H2,1-4H3,(H3,14,15,16,17)
InChIKeyHIMMOETXBJEESO-UHFFFAOYSA-N
MW251.38 g/mol
LogP2.36
Rot. Bonds7

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

4-N-ethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-2,4,6-triamine (PubChem CID 80776357) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-2,4,6-triamine
PubChem CID80776357
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name4-N-ethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-2,4,6-triamine
SMILESCCCNc1cc(N(CC)CC(C)C)nc(N)n1
InChIInChI=1S/C13H25N5/c1-5-7-15-11-8-12(17-13(14)16-11)18(6-2)9-10(3)4/h8,10H,5-7,9H2,1-4H3,(H3,14,15,16,17)
InChIKeyHIMMOETXBJEESO-UHFFFAOYSA-N
XLogP2.36
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-methylpropyl)-4-N-pentan-3-yl-6-N-propylpyrimidine-2,4,6-triamine
CID 80837748
4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80776337
6-N-methyl-4-N,4-N-bis(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80794701
4-N,4-N,6-N-triethylpyrimidine-2,4,6-triamine
CID 80767083
4-N-(3,3-dimethylbutan-2-yl)-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80815573
2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-butylamino]ethanol
CID 80808361
4-N-ethyl-4-N-(2-ethylbutyl)-6-hydrazinylpyrimidine-2,4-diamine
CID 80895944
4-N-propan-2-yl-6-N-propyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4,6-triamine
CID 80815785
4-N-(2-methylbutyl)-6-N-propylpyrimidine-2,4,6-triamine
CID 80832143
6-hydrazinyl-4-N,4-N-bis(3-methylbutyl)pyrimidine-2,4-diamine
CID 107871833
2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide
CID 80806397
4-N-ethyl-6-hydrazinyl-4-N-propylpyrimidine-2,4-diamine
CID 80944737

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-ethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-2,4,6-triamine (CID 80776357) is 4-N-ethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-ethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-ethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-2,4,6-triamine is CCCNc1cc(N(CC)CC(C)C)nc(N)n1.
What is the InChIKey of 4-N-ethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-2,4,6-triamine?
The InChIKey is HIMMOETXBJEESO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-5-7-15-11-8-12(17-13(14)16-11)18(6-2)9-10(3)4/h8,10H,5-7,9H2,1-4H3,(H3,14,15,16,17).
What are the key properties of 4-N-ethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-2,4,6-triamine?
4-N-ethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-2,4,6-triamine has a molecular weight of 251.38 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80776357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).