methyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]carbamate

C17H24N6O3 — CID 25208260

IUPACmethyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]carbamate
SMILESCOC[C@H]1CCCN1c1cc(NC(=O)OC)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C17H24N6O3/c1-11-8-12(2)23(21-11)16-18-14(19-17(24)26-4)9-15(20-16)22-7-5-6-13(22)10-25-3/h8-9,13H,5-7,10H2,1-4H3,(H,18,19,20,24)/t13-/m1/s1
InChIKeyNGBUOZZQRKAQRL-CYBMUJFWSA-N
MW360.42 g/mol
LogP2.07
Rot. Bonds5

About methyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]carbamate

methyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]carbamate (PubChem CID 25208260) has the molecular formula C17H24N6O3 and a molecular weight of 360.42 g/mol. Its IUPAC name is methyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]carbamate
PubChem CID25208260
Molecular FormulaC17H24N6O3
Molecular Weight360.42 g/mol
Exact Mass360.19
IUPAC Namemethyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]carbamate
SMILESCOC[C@H]1CCCN1c1cc(NC(=O)OC)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C17H24N6O3/c1-11-8-12(2)23(21-11)16-18-14(19-17(24)26-4)9-15(20-16)22-7-5-6-13(22)10-25-3/h8-9,13H,5-7,10H2,1-4H3,(H,18,19,20,24)/t13-/m1/s1
InChIKeyNGBUOZZQRKAQRL-CYBMUJFWSA-N
XLogP2.07
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]carbamate?
The IUPAC name of methyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]carbamate (CID 25208260) is methyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]carbamate.
What is the SMILES notation for methyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]carbamate?
The canonical SMILES for methyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]carbamate is COC[C@H]1CCCN1c1cc(NC(=O)OC)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of methyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]carbamate?
The InChIKey is NGBUOZZQRKAQRL-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H24N6O3/c1-11-8-12(2)23(21-11)16-18-14(19-17(24)26-4)9-15(20-16)22-7-5-6-13(22)10-25-3/h8-9,13H,5-7,10H2,1-4H3,(H,18,19,20,24)/t13-/m1/s1.
What are the key properties of methyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]carbamate?
methyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]carbamate has a molecular weight of 360.42 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(3,5-dimethylpyrazol-1-yl)-6-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]carbamate is sourced from PubChem (CID 25208260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).