2,4-dimethyl-5-[3-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyrimidin-6-one

C18H25N5O2 — CID 136811461

IUPAC2,4-dimethyl-5-[3-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyrimidin-6-one
SMILESCc1cnn([C@H]2CCCN(C(=O)CCc3c(C)nc(C)[nH]c3=O)C2)c1
InChIInChI=1S/C18H25N5O2/c1-12-9-19-23(10-12)15-5-4-8-22(11-15)17(24)7-6-16-13(2)20-14(3)21-18(16)25/h9-10,15H,4-8,11H2,1-3H3,(H,20,21,25)/t15-/m0/s1
InChIKeySIVIYQFGCZVTKC-HNNXBMFYSA-N
MW343.43 g/mol
LogP1.69
Rot. Bonds4

About 2,4-dimethyl-5-[3-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyrimidin-6-one

2,4-dimethyl-5-[3-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyrimidin-6-one (PubChem CID 136811461) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 2,4-dimethyl-5-[3-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-dimethyl-5-[3-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyrimidin-6-one
PubChem CID136811461
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name2,4-dimethyl-5-[3-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyrimidin-6-one
SMILESCc1cnn([C@H]2CCCN(C(=O)CCc3c(C)nc(C)[nH]c3=O)C2)c1
InChIInChI=1S/C18H25N5O2/c1-12-9-19-23(10-12)15-5-4-8-22(11-15)17(24)7-6-16-13(2)20-14(3)21-18(16)25/h9-10,15H,4-8,11H2,1-3H3,(H,20,21,25)/t15-/m0/s1
InChIKeySIVIYQFGCZVTKC-HNNXBMFYSA-N
XLogP1.69
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[3-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyrimidin-6-one?
The IUPAC name of 2,4-dimethyl-5-[3-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyrimidin-6-one (CID 136811461) is 2,4-dimethyl-5-[3-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-dimethyl-5-[3-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-dimethyl-5-[3-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyrimidin-6-one is Cc1cnn([C@H]2CCCN(C(=O)CCc3c(C)nc(C)[nH]c3=O)C2)c1.
What is the InChIKey of 2,4-dimethyl-5-[3-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyrimidin-6-one?
The InChIKey is SIVIYQFGCZVTKC-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12-9-19-23(10-12)15-5-4-8-22(11-15)17(24)7-6-16-13(2)20-14(3)21-18(16)25/h9-10,15H,4-8,11H2,1-3H3,(H,20,21,25)/t15-/m0/s1.
What are the key properties of 2,4-dimethyl-5-[3-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyrimidin-6-one?
2,4-dimethyl-5-[3-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyrimidin-6-one has a molecular weight of 343.43 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[3-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136811461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).