4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[4-(2-methyltetrazol-5-yl)phenyl]pyrimidine

C23H23N7O2 — CID 90182272

IUPAC4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[4-(2-methyltetrazol-5-yl)phenyl]pyrimidine
SMILESCOc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(-c3nnn(C)n3)cc2)nc1
InChIInChI=1S/C23H23N7O2/c1-14-24-12-20(15-4-6-16(7-5-15)22-27-29-30(2)28-22)23(26-14)32-13-17-10-19(17)21-9-8-18(31-3)11-25-21/h4-9,11-12,17,19H,10,13H2,1-3H3/t17-,19+/m1/s1
InChIKeyOVITVRJXXMWHPH-MJGOQNOKSA-N
MW429.48 g/mol
LogP3.23
Rot. Bonds7

About 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[4-(2-methyltetrazol-5-yl)phenyl]pyrimidine

4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[4-(2-methyltetrazol-5-yl)phenyl]pyrimidine (PubChem CID 90182272) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[4-(2-methyltetrazol-5-yl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[4-(2-methyltetrazol-5-yl)phenyl]pyrimidine
PubChem CID90182272
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[4-(2-methyltetrazol-5-yl)phenyl]pyrimidine
SMILESCOc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(-c3nnn(C)n3)cc2)nc1
InChIInChI=1S/C23H23N7O2/c1-14-24-12-20(15-4-6-16(7-5-15)22-27-29-30(2)28-22)23(26-14)32-13-17-10-19(17)21-9-8-18(31-3)11-25-21/h4-9,11-12,17,19H,10,13H2,1-3H3/t17-,19+/m1/s1
InChIKeyOVITVRJXXMWHPH-MJGOQNOKSA-N
XLogP3.23
TPSA100.73 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[4-(2-methyltetrazol-5-yl)phenyl]pyrimidine?
The IUPAC name of 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[4-(2-methyltetrazol-5-yl)phenyl]pyrimidine (CID 90182272) is 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[4-(2-methyltetrazol-5-yl)phenyl]pyrimidine.
What is the SMILES notation for 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[4-(2-methyltetrazol-5-yl)phenyl]pyrimidine?
The canonical SMILES for 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[4-(2-methyltetrazol-5-yl)phenyl]pyrimidine is COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(-c3nnn(C)n3)cc2)nc1.
What is the InChIKey of 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[4-(2-methyltetrazol-5-yl)phenyl]pyrimidine?
The InChIKey is OVITVRJXXMWHPH-MJGOQNOKSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-14-24-12-20(15-4-6-16(7-5-15)22-27-29-30(2)28-22)23(26-14)32-13-17-10-19(17)21-9-8-18(31-3)11-25-21/h4-9,11-12,17,19H,10,13H2,1-3H3/t17-,19+/m1/s1.
What are the key properties of 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[4-(2-methyltetrazol-5-yl)phenyl]pyrimidine?
4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[4-(2-methyltetrazol-5-yl)phenyl]pyrimidine has a molecular weight of 429.48 g/mol, XLogP of 3.23, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[4-(2-methyltetrazol-5-yl)phenyl]pyrimidine is sourced from PubChem (CID 90182272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).