5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrimidine

C15H18N4O — CID 10015970

IUPAC5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrimidine
SMILESCN1CCC[C@H]1COc1cncc(-c2cncnc2)c1
InChIInChI=1S/C15H18N4O/c1-19-4-2-3-14(19)10-20-15-5-12(6-16-9-15)13-7-17-11-18-8-13/h5-9,11,14H,2-4,10H2,1H3/t14-/m0/s1
InChIKeyKZSSEEXJLWVALH-AWEZNQCLSA-N
MW270.34 g/mol
LogP2.01
Rot. Bonds4

About 5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrimidine

5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrimidine (PubChem CID 10015970) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrimidine.

Molecular Properties

Compound Name5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrimidine
PubChem CID10015970
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrimidine
SMILESCN1CCC[C@H]1COc1cncc(-c2cncnc2)c1
InChIInChI=1S/C15H18N4O/c1-19-4-2-3-14(19)10-20-15-5-12(6-16-9-15)13-7-17-11-18-8-13/h5-9,11,14H,2-4,10H2,1H3/t14-/m0/s1
InChIKeyKZSSEEXJLWVALH-AWEZNQCLSA-N
XLogP2.01
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrimidine?
The IUPAC name of 5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrimidine (CID 10015970) is 5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrimidine.
What is the SMILES notation for 5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrimidine?
The canonical SMILES for 5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrimidine is CN1CCC[C@H]1COc1cncc(-c2cncnc2)c1.
What is the InChIKey of 5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrimidine?
The InChIKey is KZSSEEXJLWVALH-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H18N4O/c1-19-4-2-3-14(19)10-20-15-5-12(6-16-9-15)13-7-17-11-18-8-13/h5-9,11,14H,2-4,10H2,1H3/t14-/m0/s1.
What are the key properties of 5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrimidine?
5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrimidine has a molecular weight of 270.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-3-pyridinyl]pyrimidine is sourced from PubChem (CID 10015970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).