1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-4-methylpentan-2-ol

C10H17FN4O — CID 107159768

IUPAC1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNc1nc(N)ncc1F
InChIInChI=1S/C10H17FN4O/c1-6(2)3-7(16)4-13-9-8(11)5-14-10(12)15-9/h5-7,16H,3-4H2,1-2H3,(H3,12,13,14,15)
InChIKeyGUNHNWRLFQPFES-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.02
Rot. Bonds5

About 1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-4-methylpentan-2-ol

1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-4-methylpentan-2-ol (PubChem CID 107159768) has the molecular formula C10H17FN4O and a molecular weight of 228.27 g/mol. Its IUPAC name is 1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-4-methylpentan-2-ol
PubChem CID107159768
Molecular FormulaC10H17FN4O
Molecular Weight228.27 g/mol
Exact Mass228.14
IUPAC Name1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-4-methylpentan-2-ol
SMILESCC(C)CC(O)CNc1nc(N)ncc1F
InChIInChI=1S/C10H17FN4O/c1-6(2)3-7(16)4-13-9-8(11)5-14-10(12)15-9/h5-7,16H,3-4H2,1-2H3,(H3,12,13,14,15)
InChIKeyGUNHNWRLFQPFES-UHFFFAOYSA-N
XLogP1.02
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-4-methylpentan-2-ol with MolForge

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Related Compounds

5-fluoro-4-N-(2-methylbutyl)pyrimidine-2,4-diamine
CID 80832532
4-N-(2,2-difluoroethyl)-5-fluoropyrimidine-2,4-diamine
CID 115409525
5-fluoro-4-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrimidine-2,4-diamine
CID 80832624
1-[(3-amino-6-methyl-2-pyridinyl)amino]-4-methylpentan-2-ol
CID 107151105
1-[(3-amino-4-methyl-2-pyridinyl)amino]-4-methylpentan-2-ol
CID 107151118
1-[(5-fluoro-2-pyridinyl)amino]-4-methylpentan-2-ol
CID 107153298
1-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80779218
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N-tert-butylacetamide
CID 113293343
1-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107154908
2-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106258368
1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 106296405
1-[(2-amino-5-bromopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107159495

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-4-methylpentan-2-ol?
The IUPAC name of 1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-4-methylpentan-2-ol (CID 107159768) is 1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-4-methylpentan-2-ol?
The canonical SMILES for 1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-4-methylpentan-2-ol is CC(C)CC(O)CNc1nc(N)ncc1F.
What is the InChIKey of 1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-4-methylpentan-2-ol?
The InChIKey is GUNHNWRLFQPFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN4O/c1-6(2)3-7(16)4-13-9-8(11)5-14-10(12)15-9/h5-7,16H,3-4H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-4-methylpentan-2-ol?
1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-4-methylpentan-2-ol has a molecular weight of 228.27 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-4-methylpentan-2-ol is sourced from PubChem (CID 107159768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).