6-[(2R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine

C18H28N6 — CID 124989910

IUPAC6-[(2R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine
SMILESCCn1nc(C)c(CN2CCC[C@@H]2c2cc(NC)nc(C)n2)c1C
InChIInChI=1S/C18H28N6/c1-6-24-13(3)15(12(2)22-24)11-23-9-7-8-17(23)16-10-18(19-5)21-14(4)20-16/h10,17H,6-9,11H2,1-5H3,(H,19,20,21)/t17-/m1/s1
InChIKeyOXVUVTOUGGMPOO-QGZVFWFLSA-N
MW328.46 g/mol
LogP3.00
Rot. Bonds5

About 6-[(2R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine

6-[(2R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine (PubChem CID 124989910) has the molecular formula C18H28N6 and a molecular weight of 328.46 g/mol. Its IUPAC name is 6-[(2R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[(2R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine
PubChem CID124989910
Molecular FormulaC18H28N6
Molecular Weight328.46 g/mol
Exact Mass328.24
IUPAC Name6-[(2R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine
SMILESCCn1nc(C)c(CN2CCC[C@@H]2c2cc(NC)nc(C)n2)c1C
InChIInChI=1S/C18H28N6/c1-6-24-13(3)15(12(2)22-24)11-23-9-7-8-17(23)16-10-18(19-5)21-14(4)20-16/h10,17H,6-9,11H2,1-5H3,(H,19,20,21)/t17-/m1/s1
InChIKeyOXVUVTOUGGMPOO-QGZVFWFLSA-N
XLogP3.00
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of 6-[(2R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine (CID 124989910) is 6-[(2R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-[(2R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-[(2R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine is CCn1nc(C)c(CN2CCC[C@@H]2c2cc(NC)nc(C)n2)c1C.
What is the InChIKey of 6-[(2R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine?
The InChIKey is OXVUVTOUGGMPOO-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H28N6/c1-6-24-13(3)15(12(2)22-24)11-23-9-7-8-17(23)16-10-18(19-5)21-14(4)20-16/h10,17H,6-9,11H2,1-5H3,(H,19,20,21)/t17-/m1/s1.
What are the key properties of 6-[(2R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine?
6-[(2R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine has a molecular weight of 328.46 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-N,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 124989910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).