(4R,5S)-4-[(5-fluoropyrimidin-2-yl)amino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one

C15H19FN6O — CID 129001033

IUPAC(4R,5S)-4-[(5-fluoropyrimidin-2-yl)amino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
SMILESCc1nn(C)c(C)c1[C@H]1[C@H](Nc2ncc(F)cn2)CC(=O)N1C
InChIInChI=1S/C15H19FN6O/c1-8-13(9(2)22(4)20-8)14-11(5-12(23)21(14)3)19-15-17-6-10(16)7-18-15/h6-7,11,14H,5H2,1-4H3,(H,17,18,19)/t11-,14-/m1/s1
InChIKeySWIBCXHANMBPNV-BXUZGUMPSA-N
MW318.36 g/mol
LogP1.35
Rot. Bonds3

About (4R,5S)-4-[(5-fluoropyrimidin-2-yl)amino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one

(4R,5S)-4-[(5-fluoropyrimidin-2-yl)amino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one (PubChem CID 129001033) has the molecular formula C15H19FN6O and a molecular weight of 318.36 g/mol. Its IUPAC name is (4R,5S)-4-[(5-fluoropyrimidin-2-yl)amino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-4-[(5-fluoropyrimidin-2-yl)amino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
PubChem CID129001033
Molecular FormulaC15H19FN6O
Molecular Weight318.36 g/mol
Exact Mass318.16
IUPAC Name(4R,5S)-4-[(5-fluoropyrimidin-2-yl)amino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one
SMILESCc1nn(C)c(C)c1[C@H]1[C@H](Nc2ncc(F)cn2)CC(=O)N1C
InChIInChI=1S/C15H19FN6O/c1-8-13(9(2)22(4)20-8)14-11(5-12(23)21(14)3)19-15-17-6-10(16)7-18-15/h6-7,11,14H,5H2,1-4H3,(H,17,18,19)/t11-,14-/m1/s1
InChIKeySWIBCXHANMBPNV-BXUZGUMPSA-N
XLogP1.35
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-[(5-fluoropyrimidin-2-yl)amino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of (4R,5S)-4-[(5-fluoropyrimidin-2-yl)amino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one (CID 129001033) is (4R,5S)-4-[(5-fluoropyrimidin-2-yl)amino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for (4R,5S)-4-[(5-fluoropyrimidin-2-yl)amino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for (4R,5S)-4-[(5-fluoropyrimidin-2-yl)amino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one is Cc1nn(C)c(C)c1[C@H]1[C@H](Nc2ncc(F)cn2)CC(=O)N1C.
What is the InChIKey of (4R,5S)-4-[(5-fluoropyrimidin-2-yl)amino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is SWIBCXHANMBPNV-BXUZGUMPSA-N. The full InChI is InChI=1S/C15H19FN6O/c1-8-13(9(2)22(4)20-8)14-11(5-12(23)21(14)3)19-15-17-6-10(16)7-18-15/h6-7,11,14H,5H2,1-4H3,(H,17,18,19)/t11-,14-/m1/s1.
What are the key properties of (4R,5S)-4-[(5-fluoropyrimidin-2-yl)amino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one?
(4R,5S)-4-[(5-fluoropyrimidin-2-yl)amino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 318.36 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-[(5-fluoropyrimidin-2-yl)amino]-1-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 129001033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).