2-methyl-5-(3-methyl-4-pyridinyl)-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine

C21H22N4O — CID 90182181

IUPAC2-methyl-5-(3-methyl-4-pyridinyl)-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine
SMILESCc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccncc2C)nc1
InChIInChI=1S/C21H22N4O/c1-13-4-5-20(24-9-13)18-8-16(18)12-26-21-19(11-23-15(3)25-21)17-6-7-22-10-14(17)2/h4-7,9-11,16,18H,8,12H2,1-3H3/t16-,18+/m1/s1
InChIKeyYPAAFNFDLRUTNU-AEFFLSMTSA-N
MW346.43 g/mol
LogP4.04
Rot. Bonds5

About 2-methyl-5-(3-methyl-4-pyridinyl)-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine

2-methyl-5-(3-methyl-4-pyridinyl)-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine (PubChem CID 90182181) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-methyl-5-(3-methyl-4-pyridinyl)-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine.

Molecular Properties

Compound Name2-methyl-5-(3-methyl-4-pyridinyl)-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine
PubChem CID90182181
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name2-methyl-5-(3-methyl-4-pyridinyl)-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine
SMILESCc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccncc2C)nc1
InChIInChI=1S/C21H22N4O/c1-13-4-5-20(24-9-13)18-8-16(18)12-26-21-19(11-23-15(3)25-21)17-6-7-22-10-14(17)2/h4-7,9-11,16,18H,8,12H2,1-3H3/t16-,18+/m1/s1
InChIKeyYPAAFNFDLRUTNU-AEFFLSMTSA-N
XLogP4.04
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-methyl-4-pyridinyl)-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine?
The IUPAC name of 2-methyl-5-(3-methyl-4-pyridinyl)-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine (CID 90182181) is 2-methyl-5-(3-methyl-4-pyridinyl)-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine.
What is the SMILES notation for 2-methyl-5-(3-methyl-4-pyridinyl)-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine?
The canonical SMILES for 2-methyl-5-(3-methyl-4-pyridinyl)-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine is Cc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccncc2C)nc1.
What is the InChIKey of 2-methyl-5-(3-methyl-4-pyridinyl)-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine?
The InChIKey is YPAAFNFDLRUTNU-AEFFLSMTSA-N. The full InChI is InChI=1S/C21H22N4O/c1-13-4-5-20(24-9-13)18-8-16(18)12-26-21-19(11-23-15(3)25-21)17-6-7-22-10-14(17)2/h4-7,9-11,16,18H,8,12H2,1-3H3/t16-,18+/m1/s1.
What are the key properties of 2-methyl-5-(3-methyl-4-pyridinyl)-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine?
2-methyl-5-(3-methyl-4-pyridinyl)-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine has a molecular weight of 346.43 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-methyl-4-pyridinyl)-4-[[(1S,2S)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine is sourced from PubChem (CID 90182181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).