4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol

C10H16FN3O — CID 103704710

IUPAC4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
SMILESCc1ncnc(NCC(C)CCO)c1F
InChIInChI=1S/C10H16FN3O/c1-7(3-4-15)5-12-10-9(11)8(2)13-6-14-10/h6-7,15H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyMLAMERSFPKSMKX-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.35
Rot. Bonds5

About 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol

4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol (PubChem CID 103704710) has the molecular formula C10H16FN3O and a molecular weight of 213.26 g/mol. Its IUPAC name is 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
PubChem CID103704710
Molecular FormulaC10H16FN3O
Molecular Weight213.26 g/mol
Exact Mass213.13
IUPAC Name4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
SMILESCc1ncnc(NCC(C)CCO)c1F
InChIInChI=1S/C10H16FN3O/c1-7(3-4-15)5-12-10-9(11)8(2)13-6-14-10/h6-7,15H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyMLAMERSFPKSMKX-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol?
The IUPAC name of 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol (CID 103704710) is 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol.
What is the SMILES notation for 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol?
The canonical SMILES for 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol is Cc1ncnc(NCC(C)CCO)c1F.
What is the InChIKey of 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol?
The InChIKey is MLAMERSFPKSMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O/c1-7(3-4-15)5-12-10-9(11)8(2)13-6-14-10/h6-7,15H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol?
4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol has a molecular weight of 213.26 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-6-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol is sourced from PubChem (CID 103704710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).