3-amino-4-[(6-ethylpyrimidin-4-yl)amino]butan-2-ol

C10H18N4O — CID 64539805

IUPAC3-amino-4-[(6-ethylpyrimidin-4-yl)amino]butan-2-ol
SMILESCCc1cc(NCC(N)C(C)O)ncn1
InChIInChI=1S/C10H18N4O/c1-3-8-4-10(14-6-13-8)12-5-9(11)7(2)15/h4,6-7,9,15H,3,5,11H2,1-2H3,(H,12,13,14)
InChIKeyMINFPTJIJDRQRS-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.16
Rot. Bonds5

About 3-amino-4-[(6-ethylpyrimidin-4-yl)amino]butan-2-ol

3-amino-4-[(6-ethylpyrimidin-4-yl)amino]butan-2-ol (PubChem CID 64539805) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-amino-4-[(6-ethylpyrimidin-4-yl)amino]butan-2-ol.

Molecular Properties

Compound Name3-amino-4-[(6-ethylpyrimidin-4-yl)amino]butan-2-ol
PubChem CID64539805
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-amino-4-[(6-ethylpyrimidin-4-yl)amino]butan-2-ol
SMILESCCc1cc(NCC(N)C(C)O)ncn1
InChIInChI=1S/C10H18N4O/c1-3-8-4-10(14-6-13-8)12-5-9(11)7(2)15/h4,6-7,9,15H,3,5,11H2,1-2H3,(H,12,13,14)
InChIKeyMINFPTJIJDRQRS-UHFFFAOYSA-N
XLogP0.16
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(6-ethylpyrimidin-4-yl)-4-methylpentane-1,2-diamine
CID 107159268
6-ethyl-N-(2-methoxypropyl)pyrimidin-4-amine
CID 102699039
N'-(6-ethylpyrimidin-4-yl)propane-1,3-diamine
CID 61234752
1-[[6-(fluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 126849133
N-(3,3-dimethylbutan-2-yl)-6-ethylpyrimidin-4-amine
CID 115685847
1-N-(6-ethoxypyrimidin-4-yl)-3-methylbutane-1,2-diamine
CID 66319691
6-ethyl-N-(2-ethylhexyl)pyrimidin-4-amine
CID 107816361
2-[(6-ethylpyrimidin-4-yl)amino]acetic acid
CID 61236041
3-amino-4-[(4-ethyl-1,3-thiazol-2-yl)amino]butan-2-ol
CID 64541944
3-[(6-ethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)propanamide
CID 113410782
2-[(2-amino-3-hydroxybutyl)amino]pyridine-4-carboxamide
CID 64539180
6-ethyl-N-(1-fluoropropan-2-yl)pyrimidin-4-amine
CID 130875143

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(6-ethylpyrimidin-4-yl)amino]butan-2-ol?
The IUPAC name of 3-amino-4-[(6-ethylpyrimidin-4-yl)amino]butan-2-ol (CID 64539805) is 3-amino-4-[(6-ethylpyrimidin-4-yl)amino]butan-2-ol.
What is the SMILES notation for 3-amino-4-[(6-ethylpyrimidin-4-yl)amino]butan-2-ol?
The canonical SMILES for 3-amino-4-[(6-ethylpyrimidin-4-yl)amino]butan-2-ol is CCc1cc(NCC(N)C(C)O)ncn1.
What is the InChIKey of 3-amino-4-[(6-ethylpyrimidin-4-yl)amino]butan-2-ol?
The InChIKey is MINFPTJIJDRQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-8-4-10(14-6-13-8)12-5-9(11)7(2)15/h4,6-7,9,15H,3,5,11H2,1-2H3,(H,12,13,14).
What are the key properties of 3-amino-4-[(6-ethylpyrimidin-4-yl)amino]butan-2-ol?
3-amino-4-[(6-ethylpyrimidin-4-yl)amino]butan-2-ol has a molecular weight of 210.28 g/mol, XLogP of 0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(6-ethylpyrimidin-4-yl)amino]butan-2-ol is sourced from PubChem (CID 64539805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).