6-N-ethyl-4-N-hexan-3-ylpyrimidine-2,4,6-triamine

C12H23N5 — CID 80818389

IUPAC6-N-ethyl-4-N-hexan-3-ylpyrimidine-2,4,6-triamine
SMILESCCCC(CC)Nc1cc(NCC)nc(N)n1
InChIInChI=1S/C12H23N5/c1-4-7-9(5-2)15-11-8-10(14-6-3)16-12(13)17-11/h8-9H,4-7H2,1-3H3,(H4,13,14,15,16,17)
InChIKeyZUGCEBYDWVVNFE-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.48
Rot. Bonds7

About 6-N-ethyl-4-N-hexan-3-ylpyrimidine-2,4,6-triamine

6-N-ethyl-4-N-hexan-3-ylpyrimidine-2,4,6-triamine (PubChem CID 80818389) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 6-N-ethyl-4-N-hexan-3-ylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-hexan-3-ylpyrimidine-2,4,6-triamine
PubChem CID80818389
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name6-N-ethyl-4-N-hexan-3-ylpyrimidine-2,4,6-triamine
SMILESCCCC(CC)Nc1cc(NCC)nc(N)n1
InChIInChI=1S/C12H23N5/c1-4-7-9(5-2)15-11-8-10(14-6-3)16-12(13)17-11/h8-9H,4-7H2,1-3H3,(H4,13,14,15,16,17)
InChIKeyZUGCEBYDWVVNFE-UHFFFAOYSA-N
XLogP2.48
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-2,4,6-triamine
CID 80837603
3-[[2-amino-6-(ethylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 114152267
6-N-ethyl-2-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine
CID 106028897
4-N-pentan-3-ylpyrimidine-2,4,6-triamine
CID 80769685
6-N-ethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-2,4,6-triamine
CID 80844221
4-N-ethyl-6-N-methylpyrimidine-2,4,6-triamine
CID 80769889
6-N-ethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80955647
4-N-tert-butyl-6-N-ethylpyrimidine-2,4,6-triamine
CID 80768954
6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine
CID 80840157
2-cyclopropyl-6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine
CID 80959752
6-N-ethyl-4-N-(2,3,3-trimethylbutyl)pyrimidine-2,4,6-triamine
CID 83146706
6-N-hexan-3-ylpyridine-2,3,6-triamine
CID 79826041

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-hexan-3-ylpyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-ethyl-4-N-hexan-3-ylpyrimidine-2,4,6-triamine (CID 80818389) is 6-N-ethyl-4-N-hexan-3-ylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-ethyl-4-N-hexan-3-ylpyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-ethyl-4-N-hexan-3-ylpyrimidine-2,4,6-triamine is CCCC(CC)Nc1cc(NCC)nc(N)n1.
What is the InChIKey of 6-N-ethyl-4-N-hexan-3-ylpyrimidine-2,4,6-triamine?
The InChIKey is ZUGCEBYDWVVNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-4-7-9(5-2)15-11-8-10(14-6-3)16-12(13)17-11/h8-9H,4-7H2,1-3H3,(H4,13,14,15,16,17).
What are the key properties of 6-N-ethyl-4-N-hexan-3-ylpyrimidine-2,4,6-triamine?
6-N-ethyl-4-N-hexan-3-ylpyrimidine-2,4,6-triamine has a molecular weight of 237.35 g/mol, XLogP of 2.48, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-hexan-3-ylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80818389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).