4-methoxy-6-[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine

C15H21N5O2 — CID 97470263

IUPAC4-methoxy-6-[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine
SMILESCOc1cc(N2CC[C@@H](OC)[C@@H]2Cc2cnn(C)c2)ncn1
InChIInChI=1S/C15H21N5O2/c1-19-9-11(8-18-19)6-12-13(21-2)4-5-20(12)14-7-15(22-3)17-10-16-14/h7-10,12-13H,4-6H2,1-3H3/t12-,13+/m0/s1
InChIKeyROXBCFLQIWLRJC-QWHCGFSZSA-N
MW303.37 g/mol
LogP1.06
Rot. Bonds5

About 4-methoxy-6-[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine

4-methoxy-6-[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine (PubChem CID 97470263) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 4-methoxy-6-[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-methoxy-6-[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine
PubChem CID97470263
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name4-methoxy-6-[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine
SMILESCOc1cc(N2CC[C@@H](OC)[C@@H]2Cc2cnn(C)c2)ncn1
InChIInChI=1S/C15H21N5O2/c1-19-9-11(8-18-19)6-12-13(21-2)4-5-20(12)14-7-15(22-3)17-10-16-14/h7-10,12-13H,4-6H2,1-3H3/t12-,13+/m0/s1
InChIKeyROXBCFLQIWLRJC-QWHCGFSZSA-N
XLogP1.06
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 4-methoxy-6-[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine (CID 97470263) is 4-methoxy-6-[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 4-methoxy-6-[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 4-methoxy-6-[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine is COc1cc(N2CC[C@@H](OC)[C@@H]2Cc2cnn(C)c2)ncn1.
What is the InChIKey of 4-methoxy-6-[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine?
The InChIKey is ROXBCFLQIWLRJC-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-19-9-11(8-18-19)6-12-13(21-2)4-5-20(12)14-7-15(22-3)17-10-16-14/h7-10,12-13H,4-6H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of 4-methoxy-6-[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine?
4-methoxy-6-[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine has a molecular weight of 303.37 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[(2S,3R)-3-methoxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 97470263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).