2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylbutan-1-ol

C10H17FN4O — CID 80844801

IUPAC2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)Nc1nc(NC)ncc1F
InChIInChI=1S/C10H17FN4O/c1-4-10(2,6-16)15-8-7(11)5-13-9(12-3)14-8/h5,16H,4,6H2,1-3H3,(H2,12,13,14,15)
InChIKeyRIHJBCZMBWOCNP-UHFFFAOYSA-N
MW228.27 g/mol
LogP1.23
Rot. Bonds5

About 2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylbutan-1-ol

2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylbutan-1-ol (PubChem CID 80844801) has the molecular formula C10H17FN4O and a molecular weight of 228.27 g/mol. Its IUPAC name is 2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylbutan-1-ol
PubChem CID80844801
Molecular FormulaC10H17FN4O
Molecular Weight228.27 g/mol
Exact Mass228.14
IUPAC Name2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)Nc1nc(NC)ncc1F
InChIInChI=1S/C10H17FN4O/c1-4-10(2,6-16)15-8-7(11)5-13-9(12-3)14-8/h5,16H,4,6H2,1-3H3,(H2,12,13,14,15)
InChIKeyRIHJBCZMBWOCNP-UHFFFAOYSA-N
XLogP1.23
TPSA70.07 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 ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylbutan-1-ol?
The IUPAC name of 2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylbutan-1-ol (CID 80844801) is 2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylbutan-1-ol?
The canonical SMILES for 2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylbutan-1-ol is CCC(C)(CO)Nc1nc(NC)ncc1F.
What is the InChIKey of 2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylbutan-1-ol?
The InChIKey is RIHJBCZMBWOCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN4O/c1-4-10(2,6-16)15-8-7(11)5-13-9(12-3)14-8/h5,16H,4,6H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylbutan-1-ol?
2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylbutan-1-ol has a molecular weight of 228.27 g/mol, XLogP of 1.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-fluoro-2-(methylamino)pyrimidin-4-yl]amino]-2-methylbutan-1-ol is sourced from PubChem (CID 80844801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).