1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylpropan-2-ol

C10H16FN3O — CID 103880070

IUPAC1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylpropan-2-ol
SMILESCCc1ncnc(NCC(C)(C)O)c1F
InChIInChI=1S/C10H16FN3O/c1-4-7-8(11)9(14-6-13-7)12-5-10(2,3)15/h6,15H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyAWEQLRMMEVFOOP-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.36
Rot. Bonds4

About 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylpropan-2-ol

1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylpropan-2-ol (PubChem CID 103880070) has the molecular formula C10H16FN3O and a molecular weight of 213.26 g/mol. Its IUPAC name is 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylpropan-2-ol
PubChem CID103880070
Molecular FormulaC10H16FN3O
Molecular Weight213.26 g/mol
Exact Mass213.13
IUPAC Name1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylpropan-2-ol
SMILESCCc1ncnc(NCC(C)(C)O)c1F
InChIInChI=1S/C10H16FN3O/c1-4-7-8(11)9(14-6-13-7)12-5-10(2,3)15/h6,15H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyAWEQLRMMEVFOOP-UHFFFAOYSA-N
XLogP1.36
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylpropan-2-ol (CID 103880070) is 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylpropan-2-ol is CCc1ncnc(NCC(C)(C)O)c1F.
What is the InChIKey of 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylpropan-2-ol?
The InChIKey is AWEQLRMMEVFOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O/c1-4-7-8(11)9(14-6-13-7)12-5-10(2,3)15/h6,15H,4-5H2,1-3H3,(H,12,13,14).
What are the key properties of 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylpropan-2-ol?
1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylpropan-2-ol has a molecular weight of 213.26 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 103880070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).