2-[(6-methylsulfanylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol

C14H17N3OS — CID 106973096

IUPAC2-[(6-methylsulfanylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol
SMILESCSc1cc(NC(C)(CO)c2ccccc2)ncn1
InChIInChI=1S/C14H17N3OS/c1-14(9-18,11-6-4-3-5-7-11)17-12-8-13(19-2)16-10-15-12/h3-8,10,18H,9H2,1-2H3,(H,15,16,17)
InChIKeyDHSQQEZCEYNBPY-UHFFFAOYSA-N
MW275.38 g/mol
LogP2.52
Rot. Bonds5

About 2-[(6-methylsulfanylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol

2-[(6-methylsulfanylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol (PubChem CID 106973096) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is 2-[(6-methylsulfanylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(6-methylsulfanylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol
PubChem CID106973096
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Name2-[(6-methylsulfanylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol
SMILESCSc1cc(NC(C)(CO)c2ccccc2)ncn1
InChIInChI=1S/C14H17N3OS/c1-14(9-18,11-6-4-3-5-7-11)17-12-8-13(19-2)16-10-15-12/h3-8,10,18H,9H2,1-2H3,(H,15,16,17)
InChIKeyDHSQQEZCEYNBPY-UHFFFAOYSA-N
XLogP2.52
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-2-[(6-methylsulfanylpyrimidin-4-yl)amino]propane-1,3-diol
CID 107866289
2-[(5-tert-butyl-2-pyridinyl)amino]-2-phenylpropan-1-ol
CID 107874941
2-[(6-ethoxy-2-pyridinyl)amino]-2-phenylpropan-1-ol
CID 105058536
2-[(6-amino-2-methylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol
CID 105060904
2-ethyl-2-[[(6-methylsulfanylpyrimidin-4-yl)amino]methyl]butan-1-ol
CID 114164755
2-[(6-chloro-5-ethylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol
CID 105058672
2-cyclopropyl-4-[(1-hydroxy-2-phenylpropan-2-yl)amino]-1H-pyrimidin-6-one
CID 136803028
3,3-dimethyl-4-[(6-methylsulfanylpyrimidin-4-yl)amino]butan-1-ol
CID 106144784
4-chloro-6-[(1-hydroxy-2-phenylpropan-2-yl)amino]pyrimidine-5-carbaldehyde
CID 105058642
6-methylsulfanyl-N-(2,2,2-trifluoroethyl)pyrimidin-4-amine
CID 106972565
(2R)-2-(methylamino)-2-phenylpropan-1-ol
CID 93471124
2-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-phenylpropan-1-ol
CID 105058534

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylsulfanylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol?
The IUPAC name of 2-[(6-methylsulfanylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol (CID 106973096) is 2-[(6-methylsulfanylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol.
What is the SMILES notation for 2-[(6-methylsulfanylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol?
The canonical SMILES for 2-[(6-methylsulfanylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol is CSc1cc(NC(C)(CO)c2ccccc2)ncn1.
What is the InChIKey of 2-[(6-methylsulfanylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol?
The InChIKey is DHSQQEZCEYNBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-14(9-18,11-6-4-3-5-7-11)17-12-8-13(19-2)16-10-15-12/h3-8,10,18H,9H2,1-2H3,(H,15,16,17).
What are the key properties of 2-[(6-methylsulfanylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol?
2-[(6-methylsulfanylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol has a molecular weight of 275.38 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylsulfanylpyrimidin-4-yl)amino]-2-phenylpropan-1-ol is sourced from PubChem (CID 106973096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).