1-[(6-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol

C10H16FN3O — CID 106293599

IUPAC1-[(6-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1cc(F)ncn1
InChIInChI=1S/C10H16FN3O/c1-3-4-10(2,15)6-12-9-5-8(11)13-7-14-9/h5,7,15H,3-4,6H2,1-2H3,(H,12,13,14)
InChIKeyQNPABJPWWGGJJO-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.58
Rot. Bonds5

About 1-[(6-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol

1-[(6-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol (PubChem CID 106293599) has the molecular formula C10H16FN3O and a molecular weight of 213.26 g/mol. Its IUPAC name is 1-[(6-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(6-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol
PubChem CID106293599
Molecular FormulaC10H16FN3O
Molecular Weight213.26 g/mol
Exact Mass213.13
IUPAC Name1-[(6-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1cc(F)ncn1
InChIInChI=1S/C10H16FN3O/c1-3-4-10(2,15)6-12-9-5-8(11)13-7-14-9/h5,7,15H,3-4,6H2,1-2H3,(H,12,13,14)
InChIKeyQNPABJPWWGGJJO-UHFFFAOYSA-N
XLogP1.58
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6-Aminopyrimidin-4-yl)amino]-3-fluorobutan-2-ol
CID 156103543
1-[6-(Cyclopropylmethylamino)pyrimidin-4-yl]-3-(trifluoromethyl)pyrrolidin-3-ol
CID 75496473
1-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol
CID 79075585
3-[[(2-Chloro-5-fluoropyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 79075697
1-[(2-Chloro-5-fluoropyrimidin-4-yl)amino]-2,4-dimethylpentan-2-ol
CID 79075700
1-[(2-Amino-5-fluoropyrimidin-4-yl)amino]-2-methylbutan-2-ol
CID 80840466
3-[[(2-Amino-5-fluoropyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 80842108
1-[[[5-Fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80842133
1-[[[5-Fluoro-2-(propylamino)pyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80842248
1-[[[2-(Ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 80842250
1-[[[5-Fluoro-2-(methylamino)pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 80842335
1-[[[2-(Ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 80842338

Frequently Asked Questions

What is the IUPAC name of 1-[(6-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol?
The IUPAC name of 1-[(6-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol (CID 106293599) is 1-[(6-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[(6-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[(6-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol is CCCC(C)(O)CNc1cc(F)ncn1.
What is the InChIKey of 1-[(6-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol?
The InChIKey is QNPABJPWWGGJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O/c1-3-4-10(2,15)6-12-9-5-8(11)13-7-14-9/h5,7,15H,3-4,6H2,1-2H3,(H,12,13,14).
What are the key properties of 1-[(6-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol?
1-[(6-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol has a molecular weight of 213.26 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol is sourced from PubChem (CID 106293599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).