1-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-3-propan-2-ylurea

C19H29N7O2 — CID 25210119

IUPAC1-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-3-propan-2-ylurea
SMILESCOC[C@H]1CCCN1c1cc(NC(=O)NC(C)C)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C19H29N7O2/c1-12(2)20-19(27)22-16-10-17(25-8-6-7-15(25)11-28-5)23-18(21-16)26-14(4)9-13(3)24-26/h9-10,12,15H,6-8,11H2,1-5H3,(H2,20,21,22,23,27)/t15-/m1/s1
InChIKeyMTZHACHOHNFIFR-OAHLLOKOSA-N
MW387.49 g/mol
LogP2.42
Rot. Bonds6

About 1-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-3-propan-2-ylurea

1-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-3-propan-2-ylurea (PubChem CID 25210119) has the molecular formula C19H29N7O2 and a molecular weight of 387.49 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-3-propan-2-ylurea
PubChem CID25210119
Molecular FormulaC19H29N7O2
Molecular Weight387.49 g/mol
Exact Mass387.24
IUPAC Name1-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-3-propan-2-ylurea
SMILESCOC[C@H]1CCCN1c1cc(NC(=O)NC(C)C)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C19H29N7O2/c1-12(2)20-19(27)22-16-10-17(25-8-6-7-15(25)11-28-5)23-18(21-16)26-14(4)9-13(3)24-26/h9-10,12,15H,6-8,11H2,1-5H3,(H2,20,21,22,23,27)/t15-/m1/s1
InChIKeyMTZHACHOHNFIFR-OAHLLOKOSA-N
XLogP2.42
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-3-propan-2-ylurea (CID 25210119) is 1-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-3-propan-2-ylurea is COC[C@H]1CCCN1c1cc(NC(=O)NC(C)C)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of 1-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-3-propan-2-ylurea?
The InChIKey is MTZHACHOHNFIFR-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H29N7O2/c1-12(2)20-19(27)22-16-10-17(25-8-6-7-15(25)11-28-5)23-18(21-16)26-14(4)9-13(3)24-26/h9-10,12,15H,6-8,11H2,1-5H3,(H2,20,21,22,23,27)/t15-/m1/s1.
What are the key properties of 1-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-3-propan-2-ylurea?
1-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-3-propan-2-ylurea has a molecular weight of 387.49 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-3-propan-2-ylurea is sourced from PubChem (CID 25210119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).