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

C10H17FN4O — CID 106296405

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

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

1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol (PubChem CID 106296405) 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]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol
PubChem CID106296405
Molecular FormulaC10H17FN4O
Molecular Weight228.27 g/mol
Exact Mass228.14
IUPAC Name1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNc1nc(N)ncc1F
InChIInChI=1S/C10H17FN4O/c1-3-4-10(2,16)6-14-8-7(11)5-13-9(12)15-8/h5,16H,3-4,6H2,1-2H3,(H3,12,13,14,15)
InChIKeyFHIFXSYFPKJBEX-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[(2-amino-5-fluoropyrimidin-4-yl)amino]methyl]-2-ethylbutan-1-ol
CID 106258368
1-[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]-2-methylbutan-2-ol
CID 80842696
1-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-4-methoxy-2-methylbutan-2-ol
CID 106258036
5-fluoro-4-N-(2-methylbutyl)pyrimidine-2,4-diamine
CID 80832532
2-[(2-amino-5-fluoropyrimidin-4-yl)amino]-N-tert-butylacetamide
CID 113293343
4-N-(2,2-difluoroethyl)-5-fluoropyrimidine-2,4-diamine
CID 115409525
1-[(3-amino-6-chloro-2-pyridinyl)amino]-2-methylpentan-2-ol
CID 106290230
4-N-[3-(diethylamino)propyl]-5-fluoropyrimidine-2,4-diamine
CID 80777648
1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-4-methylpentan-2-ol
CID 107159768
1-[(2-amino-6-methyl-5-nitropyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 106296268
4-[(2-amino-5-methylpyrimidin-4-yl)amino]-3,3-dimethylbutan-1-ol
CID 106149824
1-(2-amino-3,5-difluoroanilino)-2-methylpentan-2-ol
CID 106290155

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol?
The IUPAC name of 1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol (CID 106296405) is 1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol is CCCC(C)(O)CNc1nc(N)ncc1F.
What is the InChIKey of 1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol?
The InChIKey is FHIFXSYFPKJBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN4O/c1-3-4-10(2,16)6-14-8-7(11)5-13-9(12)15-8/h5,16H,3-4,6H2,1-2H3,(H3,12,13,14,15).
What are the key properties of 1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol?
1-[(2-amino-5-fluoropyrimidin-4-yl)amino]-2-methylpentan-2-ol has a molecular weight of 228.27 g/mol, XLogP of 1.16, 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]-2-methylpentan-2-ol is sourced from PubChem (CID 106296405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).