(2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-phenylpropan-1-ol

C15H18FN3O — CID 97059006

IUPAC(2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-phenylpropan-1-ol
SMILESCCc1ncnc(N[C@H](CO)Cc2ccccc2)c1F
InChIInChI=1S/C15H18FN3O/c1-2-13-14(16)15(18-10-17-13)19-12(9-20)8-11-6-4-3-5-7-11/h3-7,10,12,20H,2,8-9H2,1H3,(H,17,18,19)/t12-/m0/s1
InChIKeyZENNFYKHTKOJJI-LBPRGKRZSA-N
MW275.33 g/mol
LogP2.19
Rot. Bonds6

About (2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-phenylpropan-1-ol

(2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-phenylpropan-1-ol (PubChem CID 97059006) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is (2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-phenylpropan-1-ol
PubChem CID97059006
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name(2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-phenylpropan-1-ol
SMILESCCc1ncnc(N[C@H](CO)Cc2ccccc2)c1F
InChIInChI=1S/C15H18FN3O/c1-2-13-14(16)15(18-10-17-13)19-12(9-20)8-11-6-4-3-5-7-11/h3-7,10,12,20H,2,8-9H2,1H3,(H,17,18,19)/t12-/m0/s1
InChIKeyZENNFYKHTKOJJI-LBPRGKRZSA-N
XLogP2.19
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-phenylpropan-1-ol?
The IUPAC name of (2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-phenylpropan-1-ol (CID 97059006) is (2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-phenylpropan-1-ol.
What is the SMILES notation for (2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-phenylpropan-1-ol?
The canonical SMILES for (2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-phenylpropan-1-ol is CCc1ncnc(N[C@H](CO)Cc2ccccc2)c1F.
What is the InChIKey of (2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-phenylpropan-1-ol?
The InChIKey is ZENNFYKHTKOJJI-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-2-13-14(16)15(18-10-17-13)19-12(9-20)8-11-6-4-3-5-7-11/h3-7,10,12,20H,2,8-9H2,1H3,(H,17,18,19)/t12-/m0/s1.
What are the key properties of (2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-phenylpropan-1-ol?
(2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-phenylpropan-1-ol has a molecular weight of 275.33 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-3-phenylpropan-1-ol is sourced from PubChem (CID 97059006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).