2-(methoxymethyl)-4-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1H-pyrimidin-6-one

C14H19N5O2 — CID 164630134

IUPAC2-(methoxymethyl)-4-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESCOCc1nc(N2CC[C@H](c3cnn(C)c3)C2)cc(=O)[nH]1
InChIInChI=1S/C14H19N5O2/c1-18-7-11(6-15-18)10-3-4-19(8-10)13-5-14(20)17-12(16-13)9-21-2/h5-7,10H,3-4,8-9H2,1-2H3,(H,16,17,20)/t10-/m0/s1
InChIKeyOWRUPXVXALGJKL-JTQLQIEISA-N
MW289.34 g/mol
LogP0.64
Rot. Bonds4

About 2-(methoxymethyl)-4-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1H-pyrimidin-6-one

2-(methoxymethyl)-4-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 164630134) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(methoxymethyl)-4-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
PubChem CID164630134
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-(methoxymethyl)-4-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
SMILESCOCc1nc(N2CC[C@H](c3cnn(C)c3)C2)cc(=O)[nH]1
InChIInChI=1S/C14H19N5O2/c1-18-7-11(6-15-18)10-3-4-19(8-10)13-5-14(20)17-12(16-13)9-21-2/h5-7,10H,3-4,8-9H2,1-2H3,(H,16,17,20)/t10-/m0/s1
InChIKeyOWRUPXVXALGJKL-JTQLQIEISA-N
XLogP0.64
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(methoxymethyl)-4-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1H-pyrimidin-6-one (CID 164630134) is 2-(methoxymethyl)-4-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(methoxymethyl)-4-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(methoxymethyl)-4-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1H-pyrimidin-6-one is COCc1nc(N2CC[C@H](c3cnn(C)c3)C2)cc(=O)[nH]1.
What is the InChIKey of 2-(methoxymethyl)-4-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is OWRUPXVXALGJKL-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19N5O2/c1-18-7-11(6-15-18)10-3-4-19(8-10)13-5-14(20)17-12(16-13)9-21-2/h5-7,10H,3-4,8-9H2,1-2H3,(H,16,17,20)/t10-/m0/s1.
What are the key properties of 2-(methoxymethyl)-4-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1H-pyrimidin-6-one?
2-(methoxymethyl)-4-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 289.34 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-[(3R)-3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 164630134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).