5-methoxy-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine

C15H19N5O — CID 1470841

IUPAC5-methoxy-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine
SMILESCOc1cnc(-c2ccccn2)nc1N1CCN(C)CC1
InChIInChI=1S/C15H19N5O/c1-19-7-9-20(10-8-19)15-13(21-2)11-17-14(18-15)12-5-3-4-6-16-12/h3-6,11H,7-10H2,1-2H3
InChIKeyNJMDYQULQGQEIF-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.30
Rot. Bonds3

About 5-methoxy-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine

5-methoxy-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine (PubChem CID 1470841) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-methoxy-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name5-methoxy-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine
PubChem CID1470841
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name5-methoxy-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine
SMILESCOc1cnc(-c2ccccn2)nc1N1CCN(C)CC1
InChIInChI=1S/C15H19N5O/c1-19-7-9-20(10-8-19)15-13(21-2)11-17-14(18-15)12-5-3-4-6-16-12/h3-6,11H,7-10H2,1-2H3
InChIKeyNJMDYQULQGQEIF-UHFFFAOYSA-N
XLogP1.30
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methoxy-N-methyl-N-phenyl-2-(2-pyridinyl)-4-pyrimidinamine
CID 1470719
2-{4-[5-Chloro-6-Methyl-2-(Pyridin-2-Yl)pyrimidin-4-Yl]piperazin-1-Yl}ethanol
CID 2795593
4-[5-Chloro-6-methyl-2-(2-pyridinyl)-4-pyrimidinyl]morpholine
CID 2796262
5-Methoxy-N-(1-methylethyl)-2-(2-pyridinyl)-4-pyrimidinamine
CID 1470715
Methyl 4-morpholino-2-(2-pyridinyl)-5-pyrimidinyl ether
CID 1470839
5-methoxy-2-(2-pyridinyl)-4-(1-pyrrolidinyl)Pyrimidine
CID 1470848
2,4-Dimethylpyrido[1,2-a]pyrimidin-5-ium-3-olate
CID 11275309
N-(5-Methoxypyrimidin-2-yl)-N,2-dimethylquinazolin-4-amine
CID 42625914
5-Methoxy-4-piperidin-1-yl-2-pyridin-2-ylpyrimidine
CID 51040288
N-benzyl-5-methoxy-2-pyridin-2-ylpyrimidin-4-amine
CID 51042017
US10584134, Example 2-2
CID 53234870
(1R,4S)-2-(5-methoxy-2-pyridin-2-ylpyrimidin-4-yl)-2-azabicyclo[2.2.1]heptane
CID 70688840

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine?
The IUPAC name of 5-methoxy-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine (CID 1470841) is 5-methoxy-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 5-methoxy-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 5-methoxy-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine is COc1cnc(-c2ccccn2)nc1N1CCN(C)CC1.
What is the InChIKey of 5-methoxy-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine?
The InChIKey is NJMDYQULQGQEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-19-7-9-20(10-8-19)15-13(21-2)11-17-14(18-15)12-5-3-4-6-16-12/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 5-methoxy-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine?
5-methoxy-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine has a molecular weight of 285.35 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 1470841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).