4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyrimidine-2,4,6-triamine

C12H23N5O — CID 80821328

IUPAC4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyrimidine-2,4,6-triamine
SMILESCCC(CC)N(CCOC)c1cc(N)nc(N)n1
InChIInChI=1S/C12H23N5O/c1-4-9(5-2)17(6-7-18-3)11-8-10(13)15-12(14)16-11/h8-9H,4-7H2,1-3H3,(H4,13,14,15,16)
InChIKeyVKVCLIUSIFZNIE-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.28
Rot. Bonds7

About 4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyrimidine-2,4,6-triamine

4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyrimidine-2,4,6-triamine (PubChem CID 80821328) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyrimidine-2,4,6-triamine
PubChem CID80821328
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyrimidine-2,4,6-triamine
SMILESCCC(CC)N(CCOC)c1cc(N)nc(N)n1
InChIInChI=1S/C12H23N5O/c1-4-9(5-2)17(6-7-18-3)11-8-10(13)15-12(14)16-11/h8-9H,4-7H2,1-3H3,(H4,13,14,15,16)
InChIKeyVKVCLIUSIFZNIE-UHFFFAOYSA-N
XLogP1.28
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-butan-2-yl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 80810126
6-hydrazinyl-N-(2-methoxyethyl)-2-methyl-N-pentan-3-ylpyrimidin-4-amine
CID 80900949
4-N-butan-2-yl-4-N-(2-methoxyethyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80820334
6-hydrazinyl-N-(2-methoxyethyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-4-amine
CID 80964530
2-N-(2-methoxyethyl)-4-N,4-N-dimethyl-2-N-pentan-3-yl-1,3,5-triazine-2,4,6-triamine
CID 80820612
2-N-(2-methoxyethyl)-5-methyl-2-N-pentan-3-ylpyridine-2,4-diamine
CID 83265340
6-N-ethyl-4-N-(2-methoxyethyl)-2-methylsulfanyl-4-N-pentan-3-ylpyrimidine-4,6-diamine
CID 80787308
6-hydrazinyl-4-N-(2-methoxyethyl)-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 82965494
2-hydrazinyl-N-(2-methoxyethyl)-N-pentan-3-ylpyrimidin-4-amine
CID 80900777
4-N-ethyl-4-N-propan-2-ylpyrimidine-2,4,6-triamine
CID 80775843
6-fluoro-N-(2-methoxyethyl)-N-pentan-3-ylpyridin-2-amine
CID 55002889
6-N-ethyl-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-2,4,6-triamine
CID 80820365

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyrimidine-2,4,6-triamine (CID 80821328) is 4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyrimidine-2,4,6-triamine is CCC(CC)N(CCOC)c1cc(N)nc(N)n1.
What is the InChIKey of 4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyrimidine-2,4,6-triamine?
The InChIKey is VKVCLIUSIFZNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-4-9(5-2)17(6-7-18-3)11-8-10(13)15-12(14)16-11/h8-9H,4-7H2,1-3H3,(H4,13,14,15,16).
What are the key properties of 4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyrimidine-2,4,6-triamine?
4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyrimidine-2,4,6-triamine has a molecular weight of 253.35 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)-4-N-pentan-3-ylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80821328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).