4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-(6-methyl-3-pyridinyl)pyrimidine

C21H22N4O2 — CID 71085908

IUPAC4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-(6-methyl-3-pyridinyl)pyrimidine
SMILESCOc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(C)nc2)nc1
InChIInChI=1S/C21H22N4O2/c1-13-4-5-15(9-22-13)19-11-23-14(2)25-21(19)27-12-16-8-18(16)20-7-6-17(26-3)10-24-20/h4-7,9-11,16,18H,8,12H2,1-3H3/t16-,18+/m1/s1
InChIKeyRHMDAALVGLZJPI-AEFFLSMTSA-N
MW362.43 g/mol
LogP3.74
Rot. Bonds6

About 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-(6-methyl-3-pyridinyl)pyrimidine

4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-(6-methyl-3-pyridinyl)pyrimidine (PubChem CID 71085908) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-(6-methyl-3-pyridinyl)pyrimidine.

Molecular Properties

Compound Name4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-(6-methyl-3-pyridinyl)pyrimidine
PubChem CID71085908
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-(6-methyl-3-pyridinyl)pyrimidine
SMILESCOc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(C)nc2)nc1
InChIInChI=1S/C21H22N4O2/c1-13-4-5-15(9-22-13)19-11-23-14(2)25-21(19)27-12-16-8-18(16)20-7-6-17(26-3)10-24-20/h4-7,9-11,16,18H,8,12H2,1-3H3/t16-,18+/m1/s1
InChIKeyRHMDAALVGLZJPI-AEFFLSMTSA-N
XLogP3.74
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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-(6-methyl-3-pyridinyl)pyrimidine?
The IUPAC name of 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-(6-methyl-3-pyridinyl)pyrimidine (CID 71085908) is 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-(6-methyl-3-pyridinyl)pyrimidine.
What is the SMILES notation for 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-(6-methyl-3-pyridinyl)pyrimidine?
The canonical SMILES for 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-(6-methyl-3-pyridinyl)pyrimidine is COc1ccc([C@H]2C[C@@H]2COc2nc(C)ncc2-c2ccc(C)nc2)nc1.
What is the InChIKey of 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-(6-methyl-3-pyridinyl)pyrimidine?
The InChIKey is RHMDAALVGLZJPI-AEFFLSMTSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-13-4-5-15(9-22-13)19-11-23-14(2)25-21(19)27-12-16-8-18(16)20-7-6-17(26-3)10-24-20/h4-7,9-11,16,18H,8,12H2,1-3H3/t16-,18+/m1/s1.
What are the key properties of 4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-(6-methyl-3-pyridinyl)pyrimidine?
4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-(6-methyl-3-pyridinyl)pyrimidine has a molecular weight of 362.43 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 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-(6-methyl-3-pyridinyl)pyrimidine is sourced from PubChem (CID 71085908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).