3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol

C13H22N4O — CID 102875507

IUPAC3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
SMILESCCc1c(N)ncnc1N(CCCO)C1CCC1
InChIInChI=1S/C13H22N4O/c1-2-11-12(14)15-9-16-13(11)17(7-4-8-18)10-5-3-6-10/h9-10,18H,2-8H2,1H3,(H2,14,15,16)
InChIKeyZCEBWMPPXATEQP-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.36
Rot. Bonds6

About 3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol

3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol (PubChem CID 102875507) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
PubChem CID102875507
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
SMILESCCc1c(N)ncnc1N(CCCO)C1CCC1
InChIInChI=1S/C13H22N4O/c1-2-11-12(14)15-9-16-13(11)17(7-4-8-18)10-5-3-6-10/h9-10,18H,2-8H2,1H3,(H2,14,15,16)
InChIKeyZCEBWMPPXATEQP-UHFFFAOYSA-N
XLogP1.36
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-amino-5-ethylpyrimidin-4-yl)-cyclopropylamino]ethanol
CID 80810039
4-N-cyclopentyl-5-ethyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 80854897
2-[(6-chloro-5-ethylpyrimidin-4-yl)-cyclobutylamino]ethanol
CID 102865911
3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclopropylamino]propanenitrile
CID 80811362
4-N-cyclopropyl-4-N,5-dipropylpyrimidine-4,6-diamine
CID 80774677
3-[cyclobutyl-[5-(hydroxymethyl)pyrimidin-4-yl]amino]propan-1-ol
CID 114215177
3-[(6-amino-2-ethyl-5-methylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol
CID 102875553
2-[cyclopentyl-(6-hydrazinyl-5-propylpyrimidin-4-yl)amino]ethanol
CID 80904987
4-N-butyl-4-N-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 80799335
2-[(5-amino-6-chloropyrimidin-4-yl)-cyclobutylamino]ethanol
CID 102859630
2-[(6-amino-5-ethylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80811308
3-[(3-amino-6-methyl-2-pyridinyl)-cyclobutylamino]propan-1-ol
CID 102859402

Frequently Asked Questions

What is the IUPAC name of 3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol?
The IUPAC name of 3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol (CID 102875507) is 3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol.
What is the SMILES notation for 3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol?
The canonical SMILES for 3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol is CCc1c(N)ncnc1N(CCCO)C1CCC1.
What is the InChIKey of 3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol?
The InChIKey is ZCEBWMPPXATEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-2-11-12(14)15-9-16-13(11)17(7-4-8-18)10-5-3-6-10/h9-10,18H,2-8H2,1H3,(H2,14,15,16).
What are the key properties of 3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol?
3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol has a molecular weight of 250.35 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-5-ethylpyrimidin-4-yl)-cyclobutylamino]propan-1-ol is sourced from PubChem (CID 102875507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).