[(2S)-4-(4-methoxypyrimidin-2-yl)piperazin-2-yl]-pyrrolidin-1-ylmethanone

C14H21N5O2 — CID 95724778

IUPAC[(2S)-4-(4-methoxypyrimidin-2-yl)piperazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccnc(N2CCN[C@H](C(=O)N3CCCC3)C2)n1
InChIInChI=1S/C14H21N5O2/c1-21-12-4-5-16-14(17-12)19-9-6-15-11(10-19)13(20)18-7-2-3-8-18/h4-5,11,15H,2-3,6-10H2,1H3/t11-/m0/s1
InChIKeyINVVPCPEKWSLBI-NSHDSACASA-N
MW291.35 g/mol
LogP-0.11
Rot. Bonds3

About [(2S)-4-(4-methoxypyrimidin-2-yl)piperazin-2-yl]-pyrrolidin-1-ylmethanone

[(2S)-4-(4-methoxypyrimidin-2-yl)piperazin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 95724778) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is [(2S)-4-(4-methoxypyrimidin-2-yl)piperazin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(2S)-4-(4-methoxypyrimidin-2-yl)piperazin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID95724778
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name[(2S)-4-(4-methoxypyrimidin-2-yl)piperazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccnc(N2CCN[C@H](C(=O)N3CCCC3)C2)n1
InChIInChI=1S/C14H21N5O2/c1-21-12-4-5-16-14(17-12)19-9-6-15-11(10-19)13(20)18-7-2-3-8-18/h4-5,11,15H,2-3,6-10H2,1H3/t11-/m0/s1
InChIKeyINVVPCPEKWSLBI-NSHDSACASA-N
XLogP-0.11
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S)-4-(4-methoxypyrimidin-2-yl)piperazin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(2S)-4-(4-methoxypyrimidin-2-yl)piperazin-2-yl]-pyrrolidin-1-ylmethanone (CID 95724778) is [(2S)-4-(4-methoxypyrimidin-2-yl)piperazin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(2S)-4-(4-methoxypyrimidin-2-yl)piperazin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(2S)-4-(4-methoxypyrimidin-2-yl)piperazin-2-yl]-pyrrolidin-1-ylmethanone is COc1ccnc(N2CCN[C@H](C(=O)N3CCCC3)C2)n1.
What is the InChIKey of [(2S)-4-(4-methoxypyrimidin-2-yl)piperazin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is INVVPCPEKWSLBI-NSHDSACASA-N. The full InChI is InChI=1S/C14H21N5O2/c1-21-12-4-5-16-14(17-12)19-9-6-15-11(10-19)13(20)18-7-2-3-8-18/h4-5,11,15H,2-3,6-10H2,1H3/t11-/m0/s1.
What are the key properties of [(2S)-4-(4-methoxypyrimidin-2-yl)piperazin-2-yl]-pyrrolidin-1-ylmethanone?
[(2S)-4-(4-methoxypyrimidin-2-yl)piperazin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 291.35 g/mol, XLogP of -0.11, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-(4-methoxypyrimidin-2-yl)piperazin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 95724778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).