4-[(3S)-3-ethylpyrrolidin-1-yl]pyrimidine

C10H15N3 — CID 163491311

IUPAC4-[(3S)-3-ethylpyrrolidin-1-yl]pyrimidine
SMILESCC[C@H]1CCN(c2ccncn2)C1
InChIInChI=1S/C10H15N3/c1-2-9-4-6-13(7-9)10-3-5-11-8-12-10/h3,5,8-9H,2,4,6-7H2,1H3/t9-/m0/s1
InChIKeySVQYAGACALOLLV-VIFPVBQESA-N
MW177.25 g/mol
LogP1.71
Rot. Bonds2

About 4-[(3S)-3-ethylpyrrolidin-1-yl]pyrimidine

4-[(3S)-3-ethylpyrrolidin-1-yl]pyrimidine (PubChem CID 163491311) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is 4-[(3S)-3-ethylpyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-[(3S)-3-ethylpyrrolidin-1-yl]pyrimidine
PubChem CID163491311
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name4-[(3S)-3-ethylpyrrolidin-1-yl]pyrimidine
SMILESCC[C@H]1CCN(c2ccncn2)C1
InChIInChI=1S/C10H15N3/c1-2-9-4-6-13(7-9)10-3-5-11-8-12-10/h3,5,8-9H,2,4,6-7H2,1H3/t9-/m0/s1
InChIKeySVQYAGACALOLLV-VIFPVBQESA-N
XLogP1.71
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(2-chloroethyl)piperidin-1-yl]pyrimidine
CID 131015455
N-ethyl-1-pyrimidin-4-ylpiperidin-3-amine
CID 78945406
3-tert-butyl-6-[(1-pyrimidin-4-ylpyrrolidin-3-yl)methoxy]pyridazine
CID 154575296
ethane;2-(3-ethylpyrrolidin-1-yl)-4-methylpyridine
CID 170578415
(1-pyrimidin-4-ylpyrrolidin-3-yl)carbamic acid
CID 66765635
ethane;propane;4-pyrrolidin-1-ylpyrimidine
CID 156866865
4-(4-methoxypiperidin-1-yl)pyrimidine
CID 140584286
4-(3-tert-butylpiperidin-1-yl)pyrimidine
CID 58394793
N-methyl-1-(1-pyrimidin-4-ylpiperidin-4-yl)ethanamine
CID 63854224
4-methyl-1-pyrimidin-4-ylpyrrolidin-3-ol
CID 130949550
4-methyl-2-[(3R)-1-pyrimidin-4-ylpyrrolidin-3-yl]pyrimidine
CID 95841795
4-methyl-2-[(3S)-1-pyrimidin-4-ylpyrrolidin-3-yl]pyrimidine
CID 95841796

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-ethylpyrrolidin-1-yl]pyrimidine?
The IUPAC name of 4-[(3S)-3-ethylpyrrolidin-1-yl]pyrimidine (CID 163491311) is 4-[(3S)-3-ethylpyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 4-[(3S)-3-ethylpyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 4-[(3S)-3-ethylpyrrolidin-1-yl]pyrimidine is CC[C@H]1CCN(c2ccncn2)C1.
What is the InChIKey of 4-[(3S)-3-ethylpyrrolidin-1-yl]pyrimidine?
The InChIKey is SVQYAGACALOLLV-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15N3/c1-2-9-4-6-13(7-9)10-3-5-11-8-12-10/h3,5,8-9H,2,4,6-7H2,1H3/t9-/m0/s1.
What are the key properties of 4-[(3S)-3-ethylpyrrolidin-1-yl]pyrimidine?
4-[(3S)-3-ethylpyrrolidin-1-yl]pyrimidine has a molecular weight of 177.25 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-ethylpyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 163491311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).