2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol

C13H24N4O — CID 80811446

IUPAC2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)c1nc(NC)ncc1C
InChIInChI=1S/C13H24N4O/c1-5-11(6-2)17(7-8-18)12-10(3)9-15-13(14-4)16-12/h9,11,18H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyDFTQCLMYKCAAPK-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.81
Rot. Bonds7

About 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol

2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol (PubChem CID 80811446) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
PubChem CID80811446
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)c1nc(NC)ncc1C
InChIInChI=1S/C13H24N4O/c1-5-11(6-2)17(7-8-18)12-10(3)9-15-13(14-4)16-12/h9,11,18H,5-8H2,1-4H3,(H,14,15,16)
InChIKeyDFTQCLMYKCAAPK-UHFFFAOYSA-N
XLogP1.81
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80811048
2-[2-hydroxyethyl-[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80797115
2-[ethyl-[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethanol
CID 80790817
2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol
CID 80810928
5-chloro-4-N-(2-methoxyethyl)-2-N-methyl-4-N-pentan-3-ylpyrimidine-2,4-diamine
CID 80821249
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-pentan-3-ylamino]ethanol
CID 80810701
2-N,4-N,5-trimethyl-4-N-(1-methylsulfanylpropan-2-yl)pyrimidine-2,4-diamine
CID 112667942
2-[(2-hydrazinyl-5-methylpyrimidin-4-yl)-propylamino]ethanol
CID 80896004
2-[(3-methyl-5-nitro-2-pyridinyl)-pentan-3-ylamino]ethanol
CID 62476555
2-N,4-N,5-trimethyl-4-N-(3-methylbutan-2-yl)pyrimidine-2,4-diamine
CID 80793725
2-[ethyl-[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80790274
2-[(5-chloro-2-methoxypyrimidin-4-yl)-pentan-3-ylamino]ethanol
CID 80752118

Frequently Asked Questions

What is the IUPAC name of 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol (CID 80811446) is 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol is CCC(CC)N(CCO)c1nc(NC)ncc1C.
What is the InChIKey of 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol?
The InChIKey is DFTQCLMYKCAAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-11(6-2)17(7-8-18)12-10(3)9-15-13(14-4)16-12/h9,11,18H,5-8H2,1-4H3,(H,14,15,16).
What are the key properties of 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol?
2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol has a molecular weight of 252.36 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]-pentan-3-ylamino]ethanol is sourced from PubChem (CID 80811446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).