2-[2-[(2-methyl-5-pyrimidin-5-ylpyrimidin-4-yl)oxymethyl]cyclopropyl]quinoline

C22H19N5O — CID 123547376

IUPAC2-[2-[(2-methyl-5-pyrimidin-5-ylpyrimidin-4-yl)oxymethyl]cyclopropyl]quinoline
SMILESCc1ncc(-c2cncnc2)c(OCC2CC2c2ccc3ccccc3n2)n1
InChIInChI=1S/C22H19N5O/c1-14-25-11-19(17-9-23-13-24-10-17)22(26-14)28-12-16-8-18(16)21-7-6-15-4-2-3-5-20(15)27-21/h2-7,9-11,13,16,18H,8,12H2,1H3
InChIKeyDBDHUTYWCYBTDK-UHFFFAOYSA-N
MW369.43 g/mol
LogP3.97
Rot. Bonds5

About 2-[2-[(2-methyl-5-pyrimidin-5-ylpyrimidin-4-yl)oxymethyl]cyclopropyl]quinoline

2-[2-[(2-methyl-5-pyrimidin-5-ylpyrimidin-4-yl)oxymethyl]cyclopropyl]quinoline (PubChem CID 123547376) has the molecular formula C22H19N5O and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-[2-[(2-methyl-5-pyrimidin-5-ylpyrimidin-4-yl)oxymethyl]cyclopropyl]quinoline.

Molecular Properties

Compound Name2-[2-[(2-methyl-5-pyrimidin-5-ylpyrimidin-4-yl)oxymethyl]cyclopropyl]quinoline
PubChem CID123547376
Molecular FormulaC22H19N5O
Molecular Weight369.43 g/mol
Exact Mass369.16
IUPAC Name2-[2-[(2-methyl-5-pyrimidin-5-ylpyrimidin-4-yl)oxymethyl]cyclopropyl]quinoline
SMILESCc1ncc(-c2cncnc2)c(OCC2CC2c2ccc3ccccc3n2)n1
InChIInChI=1S/C22H19N5O/c1-14-25-11-19(17-9-23-13-24-10-17)22(26-14)28-12-16-8-18(16)21-7-6-15-4-2-3-5-20(15)27-21/h2-7,9-11,13,16,18H,8,12H2,1H3
InChIKeyDBDHUTYWCYBTDK-UHFFFAOYSA-N
XLogP3.97
TPSA73.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[[5-(4-ethylphenyl)-2-methylpyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline
CID 123316417
3-methoxy-1-methyl-5-[2-methyl-4-[[(2S)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one
CID 144632470
1,5-dimethyl-4-[2-methyl-4-[[(2R)-2-quinolin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one
CID 129160122
2-[(1S,2S)-2-[[5-(1,4-dioxaspiro[4.5]decan-8-yl)-2-methylpyrimidin-4-yl]oxymethyl]cyclopropyl]quinoline
CID 118468055
2-methyl-5-(6-methylpyridazin-4-yl)-4-[[(1R,2R)-2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidine
CID 144632677
1-[5-[2-methyl-4-[[(2R)-2-pyridin-2-ylcyclopropyl]methoxy]pyrimidin-5-yl]-2-pyridinyl]cyclopentan-1-ol
CID 129167339
4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methyl-5-[6-(2H-tetrazol-5-yl)-3-pyridinyl]pyrimidine
CID 123528273
3-[4-[4-[[2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]phenyl]-1,2,4-oxadiazole
CID 123839926
2-methyl-4-[[(1S,2S)-2-pyridin-2-ylcyclopropyl]methoxy]-5-(1,3,5-trimethylpyrazol-4-yl)pyrimidine
CID 71062877
1-ethyl-5-[2-methyl-4-[[2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one
CID 129159916
1,3-dimethyl-5-[2-methyl-4-[[2-(5-methyl-2-pyridinyl)cyclopropyl]methoxy]pyrimidin-5-yl]pyridin-2-one
CID 129160088
5-[4-[[(1S,2S)-2-(5-methoxy-2-pyridinyl)cyclopropyl]methoxy]-2-methylpyrimidin-5-yl]-2-methyl-1,3-thiazole
CID 71488705

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methyl-5-pyrimidin-5-ylpyrimidin-4-yl)oxymethyl]cyclopropyl]quinoline?
The IUPAC name of 2-[2-[(2-methyl-5-pyrimidin-5-ylpyrimidin-4-yl)oxymethyl]cyclopropyl]quinoline (CID 123547376) is 2-[2-[(2-methyl-5-pyrimidin-5-ylpyrimidin-4-yl)oxymethyl]cyclopropyl]quinoline.
What is the SMILES notation for 2-[2-[(2-methyl-5-pyrimidin-5-ylpyrimidin-4-yl)oxymethyl]cyclopropyl]quinoline?
The canonical SMILES for 2-[2-[(2-methyl-5-pyrimidin-5-ylpyrimidin-4-yl)oxymethyl]cyclopropyl]quinoline is Cc1ncc(-c2cncnc2)c(OCC2CC2c2ccc3ccccc3n2)n1.
What is the InChIKey of 2-[2-[(2-methyl-5-pyrimidin-5-ylpyrimidin-4-yl)oxymethyl]cyclopropyl]quinoline?
The InChIKey is DBDHUTYWCYBTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O/c1-14-25-11-19(17-9-23-13-24-10-17)22(26-14)28-12-16-8-18(16)21-7-6-15-4-2-3-5-20(15)27-21/h2-7,9-11,13,16,18H,8,12H2,1H3.
What are the key properties of 2-[2-[(2-methyl-5-pyrimidin-5-ylpyrimidin-4-yl)oxymethyl]cyclopropyl]quinoline?
2-[2-[(2-methyl-5-pyrimidin-5-ylpyrimidin-4-yl)oxymethyl]cyclopropyl]quinoline has a molecular weight of 369.43 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methyl-5-pyrimidin-5-ylpyrimidin-4-yl)oxymethyl]cyclopropyl]quinoline is sourced from PubChem (CID 123547376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).