2-methyl-N-[(2R,3R)-2-(2-phenylpyrazol-3-yl)oxolan-3-yl]pyrimidin-4-amine

C18H19N5O — CID 126834756

IUPAC2-methyl-N-[(2R,3R)-2-(2-phenylpyrazol-3-yl)oxolan-3-yl]pyrimidin-4-amine
SMILESCc1nccc(N[C@@H]2CCO[C@H]2c2ccnn2-c2ccccc2)n1
InChIInChI=1S/C18H19N5O/c1-13-19-10-8-17(21-13)22-15-9-12-24-18(15)16-7-11-20-23(16)14-5-3-2-4-6-14/h2-8,10-11,15,18H,9,12H2,1H3,(H,19,21,22)/t15-,18-/m1/s1
InChIKeyGDZCZATWBCWKBH-CRAIPNDOSA-N
MW321.38 g/mol
LogP2.91
Rot. Bonds4

About 2-methyl-N-[(2R,3R)-2-(2-phenylpyrazol-3-yl)oxolan-3-yl]pyrimidin-4-amine

2-methyl-N-[(2R,3R)-2-(2-phenylpyrazol-3-yl)oxolan-3-yl]pyrimidin-4-amine (PubChem CID 126834756) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-methyl-N-[(2R,3R)-2-(2-phenylpyrazol-3-yl)oxolan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(2R,3R)-2-(2-phenylpyrazol-3-yl)oxolan-3-yl]pyrimidin-4-amine
PubChem CID126834756
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name2-methyl-N-[(2R,3R)-2-(2-phenylpyrazol-3-yl)oxolan-3-yl]pyrimidin-4-amine
SMILESCc1nccc(N[C@@H]2CCO[C@H]2c2ccnn2-c2ccccc2)n1
InChIInChI=1S/C18H19N5O/c1-13-19-10-8-17(21-13)22-15-9-12-24-18(15)16-7-11-20-23(16)14-5-3-2-4-6-14/h2-8,10-11,15,18H,9,12H2,1H3,(H,19,21,22)/t15-,18-/m1/s1
InChIKeyGDZCZATWBCWKBH-CRAIPNDOSA-N
XLogP2.91
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2R,3R)-2-(2-phenylpyrazol-3-yl)oxolan-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[(2R,3R)-2-(2-phenylpyrazol-3-yl)oxolan-3-yl]pyrimidin-4-amine (CID 126834756) is 2-methyl-N-[(2R,3R)-2-(2-phenylpyrazol-3-yl)oxolan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[(2R,3R)-2-(2-phenylpyrazol-3-yl)oxolan-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[(2R,3R)-2-(2-phenylpyrazol-3-yl)oxolan-3-yl]pyrimidin-4-amine is Cc1nccc(N[C@@H]2CCO[C@H]2c2ccnn2-c2ccccc2)n1.
What is the InChIKey of 2-methyl-N-[(2R,3R)-2-(2-phenylpyrazol-3-yl)oxolan-3-yl]pyrimidin-4-amine?
The InChIKey is GDZCZATWBCWKBH-CRAIPNDOSA-N. The full InChI is InChI=1S/C18H19N5O/c1-13-19-10-8-17(21-13)22-15-9-12-24-18(15)16-7-11-20-23(16)14-5-3-2-4-6-14/h2-8,10-11,15,18H,9,12H2,1H3,(H,19,21,22)/t15-,18-/m1/s1.
What are the key properties of 2-methyl-N-[(2R,3R)-2-(2-phenylpyrazol-3-yl)oxolan-3-yl]pyrimidin-4-amine?
2-methyl-N-[(2R,3R)-2-(2-phenylpyrazol-3-yl)oxolan-3-yl]pyrimidin-4-amine has a molecular weight of 321.38 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2R,3R)-2-(2-phenylpyrazol-3-yl)oxolan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 126834756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).