1-[(6-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol

C11H18FN3O — CID 107154916

IUPAC1-[(6-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNc1cc(F)ncn1
InChIInChI=1S/C11H18FN3O/c1-11(2,3)5-8(16)6-13-10-4-9(12)14-7-15-10/h4,7-8,16H,5-6H2,1-3H3,(H,13,14,15)
InChIKeyJOFLLODTDOUALE-UHFFFAOYSA-N
MW227.28 g/mol
LogP1.82
Rot. Bonds4

About 1-[(6-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol

1-[(6-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol (PubChem CID 107154916) has the molecular formula C11H18FN3O and a molecular weight of 227.28 g/mol. Its IUPAC name is 1-[(6-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-[(6-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
PubChem CID107154916
Molecular FormulaC11H18FN3O
Molecular Weight227.28 g/mol
Exact Mass227.14
IUPAC Name1-[(6-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNc1cc(F)ncn1
InChIInChI=1S/C11H18FN3O/c1-11(2,3)5-8(16)6-13-10-4-9(12)14-7-15-10/h4,7-8,16H,5-6H2,1-3H3,(H,13,14,15)
InChIKeyJOFLLODTDOUALE-UHFFFAOYSA-N
XLogP1.82
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(6-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[6-(ethylamino)pyrimidin-4-yl]amino]-4,4-dimethylpentan-2-ol
CID 107159494
1-[(6-aminopyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol
CID 107159476
4,4-dimethyl-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]pentan-2-ol
CID 103736559
1-[(3,5-difluoro-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol
CID 107153237
2-[(6-fluoropyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 115416506
N-tert-butyl-6-fluoropyrimidin-4-amine
CID 115416300
2-fluoro-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-4-carboxamide
CID 113237946
4,4-dimethyl-1-[(5-methyl-4-nitro-2-pyridinyl)amino]pentan-2-ol
CID 107153110
1-[(6-methylpyrimidin-4-yl)amino]propan-2-ol
CID 61226295
1-[(5-methoxy-2-pyridinyl)amino]-4,4-dimethylpentan-2-ol
CID 107153195
1-(2-amino-5-fluoroanilino)-4,4-dimethylpentan-2-ol
CID 107150865
4,4-dimethyl-1-(1,2,4-thiadiazol-5-ylamino)pentan-2-ol
CID 103865902

Frequently Asked Questions

What is the IUPAC name of 1-[(6-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-[(6-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol (CID 107154916) is 1-[(6-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-[(6-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-[(6-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol is CC(C)(C)CC(O)CNc1cc(F)ncn1.
What is the InChIKey of 1-[(6-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol?
The InChIKey is JOFLLODTDOUALE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O/c1-11(2,3)5-8(16)6-13-10-4-9(12)14-7-15-10/h4,7-8,16H,5-6H2,1-3H3,(H,13,14,15).
What are the key properties of 1-[(6-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol?
1-[(6-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol has a molecular weight of 227.28 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluoropyrimidin-4-yl)amino]-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 107154916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).