2-(cyclopropylamino)-2-phenyl-3-pyrimidin-4-ylsulfanylpropan-1-ol

C16H19N3OS — CID 64806755

IUPAC2-(cyclopropylamino)-2-phenyl-3-pyrimidin-4-ylsulfanylpropan-1-ol
SMILESOCC(CSc1ccncn1)(NC1CC1)c1ccccc1
InChIInChI=1S/C16H19N3OS/c20-10-16(19-14-6-7-14,13-4-2-1-3-5-13)11-21-15-8-9-17-12-18-15/h1-5,8-9,12,14,19-20H,6-7,10-11H2
InChIKeyKUDNMWGNRSBQPN-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.21
Rot. Bonds7

About 2-(cyclopropylamino)-2-phenyl-3-pyrimidin-4-ylsulfanylpropan-1-ol

2-(cyclopropylamino)-2-phenyl-3-pyrimidin-4-ylsulfanylpropan-1-ol (PubChem CID 64806755) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-phenyl-3-pyrimidin-4-ylsulfanylpropan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-phenyl-3-pyrimidin-4-ylsulfanylpropan-1-ol
PubChem CID64806755
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name2-(cyclopropylamino)-2-phenyl-3-pyrimidin-4-ylsulfanylpropan-1-ol
SMILESOCC(CSc1ccncn1)(NC1CC1)c1ccccc1
InChIInChI=1S/C16H19N3OS/c20-10-16(19-14-6-7-14,13-4-2-1-3-5-13)11-21-15-8-9-17-12-18-15/h1-5,8-9,12,14,19-20H,6-7,10-11H2
InChIKeyKUDNMWGNRSBQPN-UHFFFAOYSA-N
XLogP2.21
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-phenyl-3-pyrimidin-4-ylsulfanylpropan-1-ol
CID 64806120
3-tert-butylsulfanyl-2-(cyclopropylamino)-2-phenylpropan-1-ol
CID 64820406
3-(cyclopentylmethylsulfanyl)-2-(cyclopropylamino)-2-phenylpropan-1-ol
CID 64808007
2-(cyclopropylamino)-2-phenyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)butan-1-ol
CID 116695627
ethyl 2-(cyclopropylamino)-2-methyl-3-pyrimidin-4-ylsulfanylpropanoate
CID 55227872
3-cyclobutyloxy-2-(cyclopropylamino)-2-phenylpropan-1-ol
CID 64809912
2-(cyclopropylamino)-3-pyrimidin-4-ylsulfanylpropanoic acid
CID 63696799
2-(cyclopropylamino)-4-(1-methoxypropan-2-yloxy)-2-phenylbutan-1-ol
CID 116695403
2-(cyclopropylamino)-2-methyl-5-pyrimidin-4-ylsulfanylpentanamide
CID 63696970
2-(cyclopropylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutan-1-ol
CID 116695566
2-cyclopropyl-2-(cyclopropylamino)-3-pyridin-2-ylsulfanylpropanoic acid
CID 63917868
2-(cyclopropylamino)-3-morpholin-4-yl-2-phenylpropan-1-ol
CID 64797775

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-phenyl-3-pyrimidin-4-ylsulfanylpropan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-2-phenyl-3-pyrimidin-4-ylsulfanylpropan-1-ol (CID 64806755) is 2-(cyclopropylamino)-2-phenyl-3-pyrimidin-4-ylsulfanylpropan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-2-phenyl-3-pyrimidin-4-ylsulfanylpropan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-2-phenyl-3-pyrimidin-4-ylsulfanylpropan-1-ol is OCC(CSc1ccncn1)(NC1CC1)c1ccccc1.
What is the InChIKey of 2-(cyclopropylamino)-2-phenyl-3-pyrimidin-4-ylsulfanylpropan-1-ol?
The InChIKey is KUDNMWGNRSBQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c20-10-16(19-14-6-7-14,13-4-2-1-3-5-13)11-21-15-8-9-17-12-18-15/h1-5,8-9,12,14,19-20H,6-7,10-11H2.
What are the key properties of 2-(cyclopropylamino)-2-phenyl-3-pyrimidin-4-ylsulfanylpropan-1-ol?
2-(cyclopropylamino)-2-phenyl-3-pyrimidin-4-ylsulfanylpropan-1-ol has a molecular weight of 301.42 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-phenyl-3-pyrimidin-4-ylsulfanylpropan-1-ol is sourced from PubChem (CID 64806755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).