4-ethyl-6-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]pyrimidine

C15H24N4 — CID 97207565

IUPAC4-ethyl-6-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]pyrimidine
SMILESCCc1cc(N2CC[C@H](N3CCCCC3)C2)ncn1
InChIInChI=1S/C15H24N4/c1-2-13-10-15(17-12-16-13)19-9-6-14(11-19)18-7-4-3-5-8-18/h10,12,14H,2-9,11H2,1H3/t14-/m0/s1
InChIKeyNNEGHNSLBMPLDV-AWEZNQCLSA-N
MW260.38 g/mol
LogP2.10
Rot. Bonds3

About 4-ethyl-6-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]pyrimidine

4-ethyl-6-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]pyrimidine (PubChem CID 97207565) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-ethyl-6-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-ethyl-6-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]pyrimidine
PubChem CID97207565
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name4-ethyl-6-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]pyrimidine
SMILESCCc1cc(N2CC[C@H](N3CCCCC3)C2)ncn1
InChIInChI=1S/C15H24N4/c1-2-13-10-15(17-12-16-13)19-9-6-14(11-19)18-7-4-3-5-8-18/h10,12,14H,2-9,11H2,1H3/t14-/m0/s1
InChIKeyNNEGHNSLBMPLDV-AWEZNQCLSA-N
XLogP2.10
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]pyrimidine?
The IUPAC name of 4-ethyl-6-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]pyrimidine (CID 97207565) is 4-ethyl-6-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 4-ethyl-6-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 4-ethyl-6-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]pyrimidine is CCc1cc(N2CC[C@H](N3CCCCC3)C2)ncn1.
What is the InChIKey of 4-ethyl-6-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]pyrimidine?
The InChIKey is NNEGHNSLBMPLDV-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H24N4/c1-2-13-10-15(17-12-16-13)19-9-6-14(11-19)18-7-4-3-5-8-18/h10,12,14H,2-9,11H2,1H3/t14-/m0/s1.
What are the key properties of 4-ethyl-6-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]pyrimidine?
4-ethyl-6-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]pyrimidine has a molecular weight of 260.38 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 97207565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).