5-(1-ethyltriazol-4-yl)-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine

C19H22N6O2 — CID 90177031

IUPAC5-(1-ethyltriazol-4-yl)-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine
SMILESCCn1cc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc(OC)cn2)nn1
InChIInChI=1S/C19H22N6O2/c1-4-25-10-18(23-24-25)16-9-20-12(2)22-19(16)27-11-13-7-15(13)17-6-5-14(26-3)8-21-17/h5-6,8-10,13,15H,4,7,11H2,1-3H3/t13-,15+/m1/s1
InChIKeyYXBLDMQLXIAFSG-HIFRSBDPSA-N
MW366.43 g/mol
LogP2.65
Rot. Bonds7

About 5-(1-ethyltriazol-4-yl)-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine

5-(1-ethyltriazol-4-yl)-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine (PubChem CID 90177031) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 5-(1-ethyltriazol-4-yl)-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine.

Molecular Properties

Compound Name5-(1-ethyltriazol-4-yl)-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine
PubChem CID90177031
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name5-(1-ethyltriazol-4-yl)-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine
SMILESCCn1cc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc(OC)cn2)nn1
InChIInChI=1S/C19H22N6O2/c1-4-25-10-18(23-24-25)16-9-20-12(2)22-19(16)27-11-13-7-15(13)17-6-5-14(26-3)8-21-17/h5-6,8-10,13,15H,4,7,11H2,1-3H3/t13-,15+/m1/s1
InChIKeyYXBLDMQLXIAFSG-HIFRSBDPSA-N
XLogP2.65
TPSA87.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-(1-ethyltriazol-4-yl)-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethyltriazol-4-yl)-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine?
The IUPAC name of 5-(1-ethyltriazol-4-yl)-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine (CID 90177031) is 5-(1-ethyltriazol-4-yl)-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine.
What is the SMILES notation for 5-(1-ethyltriazol-4-yl)-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine?
The canonical SMILES for 5-(1-ethyltriazol-4-yl)-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine is CCn1cc(-c2cnc(C)nc2OC[C@H]2C[C@@H]2c2ccc(OC)cn2)nn1.
What is the InChIKey of 5-(1-ethyltriazol-4-yl)-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine?
The InChIKey is YXBLDMQLXIAFSG-HIFRSBDPSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-4-25-10-18(23-24-25)16-9-20-12(2)22-19(16)27-11-13-7-15(13)17-6-5-14(26-3)8-21-17/h5-6,8-10,13,15H,4,7,11H2,1-3H3/t13-,15+/m1/s1.
What are the key properties of 5-(1-ethyltriazol-4-yl)-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine?
5-(1-ethyltriazol-4-yl)-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine has a molecular weight of 366.43 g/mol, XLogP of 2.65, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethyltriazol-4-yl)-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine is sourced from PubChem (CID 90177031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).