[(2R)-4-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]piperazin-2-yl]-pyrrolidin-1-ylmethanone

C20H26N6O2 — CID 95728340

IUPAC[(2R)-4-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]piperazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ncccc1Oc1ncnc(N2CCN[C@@H](C(=O)N3CCCC3)C2)c1C
InChIInChI=1S/C20H26N6O2/c1-14-18(23-13-24-19(14)28-17-6-5-7-21-15(17)2)26-11-8-22-16(12-26)20(27)25-9-3-4-10-25/h5-7,13,16,22H,3-4,8-12H2,1-2H3/t16-/m1/s1
InChIKeyWAJVJLHOELONND-MRXNPFEDSA-N
MW382.47 g/mol
LogP1.68
Rot. Bonds4

About [(2R)-4-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]piperazin-2-yl]-pyrrolidin-1-ylmethanone

[(2R)-4-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]piperazin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 95728340) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is [(2R)-4-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]piperazin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(2R)-4-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]piperazin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID95728340
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC Name[(2R)-4-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]piperazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ncccc1Oc1ncnc(N2CCN[C@@H](C(=O)N3CCCC3)C2)c1C
InChIInChI=1S/C20H26N6O2/c1-14-18(23-13-24-19(14)28-17-6-5-7-21-15(17)2)26-11-8-22-16(12-26)20(27)25-9-3-4-10-25/h5-7,13,16,22H,3-4,8-12H2,1-2H3/t16-/m1/s1
InChIKeyWAJVJLHOELONND-MRXNPFEDSA-N
XLogP1.68
TPSA83.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [(2R)-4-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]piperazin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(2R)-4-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]piperazin-2-yl]-pyrrolidin-1-ylmethanone (CID 95728340) is [(2R)-4-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]piperazin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(2R)-4-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]piperazin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(2R)-4-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]piperazin-2-yl]-pyrrolidin-1-ylmethanone is Cc1ncccc1Oc1ncnc(N2CCN[C@@H](C(=O)N3CCCC3)C2)c1C.
What is the InChIKey of [(2R)-4-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]piperazin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is WAJVJLHOELONND-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-14-18(23-13-24-19(14)28-17-6-5-7-21-15(17)2)26-11-8-22-16(12-26)20(27)25-9-3-4-10-25/h5-7,13,16,22H,3-4,8-12H2,1-2H3/t16-/m1/s1.
What are the key properties of [(2R)-4-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]piperazin-2-yl]-pyrrolidin-1-ylmethanone?
[(2R)-4-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]piperazin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 382.47 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-[5-methyl-6-[(2-methyl-3-pyridinyl)oxy]pyrimidin-4-yl]piperazin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 95728340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).