(3R,4R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol

C15H20FN5O — CID 135106945

IUPAC(3R,4R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
SMILESCCc1ncnc(N2C[C@@H](Cc3cc(C)[nH]n3)[C@@H](O)C2)c1F
InChIInChI=1S/C15H20FN5O/c1-3-12-14(16)15(18-8-17-12)21-6-10(13(22)7-21)5-11-4-9(2)19-20-11/h4,8,10,13,22H,3,5-7H2,1-2H3,(H,19,20)/t10-,13+/m1/s1
InChIKeyYHFZWQDDNGSQAV-MFKMUULPSA-N
MW305.36 g/mol
LogP1.25
Rot. Bonds4

About (3R,4R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol

(3R,4R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol (PubChem CID 135106945) has the molecular formula C15H20FN5O and a molecular weight of 305.36 g/mol. Its IUPAC name is (3R,4R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
PubChem CID135106945
Molecular FormulaC15H20FN5O
Molecular Weight305.36 g/mol
Exact Mass305.17
IUPAC Name(3R,4R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol
SMILESCCc1ncnc(N2C[C@@H](Cc3cc(C)[nH]n3)[C@@H](O)C2)c1F
InChIInChI=1S/C15H20FN5O/c1-3-12-14(16)15(18-8-17-12)21-6-10(13(22)7-21)5-11-4-9(2)19-20-11/h4,8,10,13,22H,3,5-7H2,1-2H3,(H,19,20)/t10-,13+/m1/s1
InChIKeyYHFZWQDDNGSQAV-MFKMUULPSA-N
XLogP1.25
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol (CID 135106945) is (3R,4R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol is CCc1ncnc(N2C[C@@H](Cc3cc(C)[nH]n3)[C@@H](O)C2)c1F.
What is the InChIKey of (3R,4R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol?
The InChIKey is YHFZWQDDNGSQAV-MFKMUULPSA-N. The full InChI is InChI=1S/C15H20FN5O/c1-3-12-14(16)15(18-8-17-12)21-6-10(13(22)7-21)5-11-4-9(2)19-20-11/h4,8,10,13,22H,3,5-7H2,1-2H3,(H,19,20)/t10-,13+/m1/s1.
What are the key properties of (3R,4R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol?
(3R,4R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol has a molecular weight of 305.36 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(6-ethyl-5-fluoropyrimidin-4-yl)-4-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 135106945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).