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

C24H25N7O2 — CID 90182163

IUPAC5-[4-(2-ethyltetrazol-5-yl)phenyl]-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine
SMILESCCn1nnc(-c2ccc(-c3cnc(C)nc3OC[C@H]3C[C@@H]3c3ccc(OC)cn3)cc2)n1
InChIInChI=1S/C24H25N7O2/c1-4-31-29-23(28-30-31)17-7-5-16(6-8-17)21-13-25-15(2)27-24(21)33-14-18-11-20(18)22-10-9-19(32-3)12-26-22/h5-10,12-13,18,20H,4,11,14H2,1-3H3/t18-,20+/m1/s1
InChIKeyROEMQSFRUFOOFO-QUCCMNQESA-N
MW443.51 g/mol
LogP3.71
Rot. Bonds8

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

5-[4-(2-ethyltetrazol-5-yl)phenyl]-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine (PubChem CID 90182163) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is 5-[4-(2-ethyltetrazol-5-yl)phenyl]-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine.

Molecular Properties

Compound Name5-[4-(2-ethyltetrazol-5-yl)phenyl]-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine
PubChem CID90182163
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC Name5-[4-(2-ethyltetrazol-5-yl)phenyl]-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine
SMILESCCn1nnc(-c2ccc(-c3cnc(C)nc3OC[C@H]3C[C@@H]3c3ccc(OC)cn3)cc2)n1
InChIInChI=1S/C24H25N7O2/c1-4-31-29-23(28-30-31)17-7-5-16(6-8-17)21-13-25-15(2)27-24(21)33-14-18-11-20(18)22-10-9-19(32-3)12-26-22/h5-10,12-13,18,20H,4,11,14H2,1-3H3/t18-,20+/m1/s1
InChIKeyROEMQSFRUFOOFO-QUCCMNQESA-N
XLogP3.71
TPSA100.73 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

Methyl substituted pyrazole, 28
CID 23648676
9-[(3-Ethoxy-2-pyridinyl)methoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
CID 11166241
9-[[3-(Cyclopropylmethoxy)-2-pyridinyl]methoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
CID 11213176
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-4-amine
CID 71272262
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-6-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-4-amine
CID 71272653
4-[5-(2-methoxyethoxy)pyrazolo[1,5-b]pyridazin-3-yl]-N-(3-methoxyphenyl)pyrimidin-2-amine
CID 6539449
5-[(3S)-5,5-dimethyloxolan-3-yl]-6-methoxy-3-(2-methoxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 156022737
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5-methoxy-4-methylpyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
CID 71611179
2-[5-cyclopropyl-1-[(4-ethoxy-2,6-difluorophenyl)methyl]-4-methylpyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
CID 71611462
9-[(3-Methoxy-2-pyridinyl)methoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
CID 11750301
6-Methoxy-3-(2-methoxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
CID 162649594
6-Methoxy-3-(2-methoxy-4-pyridinyl)-5-propan-2-ylpyrazolo[1,5-a]pyrimidine
CID 162650276

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-ethyltetrazol-5-yl)phenyl]-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine?
The IUPAC name of 5-[4-(2-ethyltetrazol-5-yl)phenyl]-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine (CID 90182163) is 5-[4-(2-ethyltetrazol-5-yl)phenyl]-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine.
What is the SMILES notation for 5-[4-(2-ethyltetrazol-5-yl)phenyl]-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine?
The canonical SMILES for 5-[4-(2-ethyltetrazol-5-yl)phenyl]-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine is CCn1nnc(-c2ccc(-c3cnc(C)nc3OC[C@H]3C[C@@H]3c3ccc(OC)cn3)cc2)n1.
What is the InChIKey of 5-[4-(2-ethyltetrazol-5-yl)phenyl]-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine?
The InChIKey is ROEMQSFRUFOOFO-QUCCMNQESA-N. The full InChI is InChI=1S/C24H25N7O2/c1-4-31-29-23(28-30-31)17-7-5-16(6-8-17)21-13-25-15(2)27-24(21)33-14-18-11-20(18)22-10-9-19(32-3)12-26-22/h5-10,12-13,18,20H,4,11,14H2,1-3H3/t18-,20+/m1/s1.
What are the key properties of 5-[4-(2-ethyltetrazol-5-yl)phenyl]-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine?
5-[4-(2-ethyltetrazol-5-yl)phenyl]-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine has a molecular weight of 443.51 g/mol, XLogP of 3.71, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-ethyltetrazol-5-yl)phenyl]-4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidine is sourced from PubChem (CID 90182163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).