2-methyl-4-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]-5-(1,3,5-trimethylpyrazol-4-yl)pyrimidine

C20H23N5O — CID 71062877

IUPAC2-methyl-4-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]-5-(1,3,5-trimethylpyrazol-4-yl)pyrimidine
SMILESCc1ncc(-c2c(C)nn(C)c2C)c(OC[C@H]2C[C@@H]2c2ccccn2)n1
InChIInChI=1S/C20H23N5O/c1-12-19(13(2)25(4)24-12)17-10-22-14(3)23-20(17)26-11-15-9-16(15)18-7-5-6-8-21-18/h5-8,10,15-16H,9,11H2,1-4H3/t15-,16+/m1/s1
InChIKeyQNHYPMHDAVFAIM-CVEARBPZSA-N
MW349.44 g/mol
LogP3.38
Rot. Bonds5

About 2-methyl-4-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]-5-(1,3,5-trimethylpyrazol-4-yl)pyrimidine

2-methyl-4-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]-5-(1,3,5-trimethylpyrazol-4-yl)pyrimidine (PubChem CID 71062877) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-methyl-4-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]-5-(1,3,5-trimethylpyrazol-4-yl)pyrimidine.

Molecular Properties

Compound Name2-methyl-4-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]-5-(1,3,5-trimethylpyrazol-4-yl)pyrimidine
PubChem CID71062877
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-methyl-4-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]-5-(1,3,5-trimethylpyrazol-4-yl)pyrimidine
SMILESCc1ncc(-c2c(C)nn(C)c2C)c(OC[C@H]2C[C@@H]2c2ccccn2)n1
InChIInChI=1S/C20H23N5O/c1-12-19(13(2)25(4)24-12)17-10-22-14(3)23-20(17)26-11-15-9-16(15)18-7-5-6-8-21-18/h5-8,10,15-16H,9,11H2,1-4H3/t15-,16+/m1/s1
InChIKeyQNHYPMHDAVFAIM-CVEARBPZSA-N
XLogP3.38
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]-5-(1,3,5-trimethylpyrazol-4-yl)pyrimidine?
The IUPAC name of 2-methyl-4-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]-5-(1,3,5-trimethylpyrazol-4-yl)pyrimidine (CID 71062877) is 2-methyl-4-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]-5-(1,3,5-trimethylpyrazol-4-yl)pyrimidine.
What is the SMILES notation for 2-methyl-4-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]-5-(1,3,5-trimethylpyrazol-4-yl)pyrimidine?
The canonical SMILES for 2-methyl-4-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]-5-(1,3,5-trimethylpyrazol-4-yl)pyrimidine is Cc1ncc(-c2c(C)nn(C)c2C)c(OC[C@H]2C[C@@H]2c2ccccn2)n1.
What is the InChIKey of 2-methyl-4-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]-5-(1,3,5-trimethylpyrazol-4-yl)pyrimidine?
The InChIKey is QNHYPMHDAVFAIM-CVEARBPZSA-N. The full InChI is InChI=1S/C20H23N5O/c1-12-19(13(2)25(4)24-12)17-10-22-14(3)23-20(17)26-11-15-9-16(15)18-7-5-6-8-21-18/h5-8,10,15-16H,9,11H2,1-4H3/t15-,16+/m1/s1.
What are the key properties of 2-methyl-4-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]-5-(1,3,5-trimethylpyrazol-4-yl)pyrimidine?
2-methyl-4-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]-5-(1,3,5-trimethylpyrazol-4-yl)pyrimidine has a molecular weight of 349.44 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]-5-(1,3,5-trimethylpyrazol-4-yl)pyrimidine is sourced from PubChem (CID 71062877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).