2-cyclopropyl-4,5-dimethyl-6-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methoxy]pyrimidine

C20H27N5O — CID 163356630

IUPAC2-cyclopropyl-4,5-dimethyl-6-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methoxy]pyrimidine
SMILESCc1cnc(N2CCC(COc3nc(C4CC4)nc(C)c3C)CC2)nc1
InChIInChI=1S/C20H27N5O/c1-13-10-21-20(22-11-13)25-8-6-16(7-9-25)12-26-19-14(2)15(3)23-18(24-19)17-4-5-17/h10-11,16-17H,4-9,12H2,1-3H3
InChIKeyWJAJBTDMXKVXLV-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.36
Rot. Bonds5

About 2-cyclopropyl-4,5-dimethyl-6-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methoxy]pyrimidine

2-cyclopropyl-4,5-dimethyl-6-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methoxy]pyrimidine (PubChem CID 163356630) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-cyclopropyl-4,5-dimethyl-6-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methoxy]pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-4,5-dimethyl-6-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methoxy]pyrimidine
PubChem CID163356630
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name2-cyclopropyl-4,5-dimethyl-6-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methoxy]pyrimidine
SMILESCc1cnc(N2CCC(COc3nc(C4CC4)nc(C)c3C)CC2)nc1
InChIInChI=1S/C20H27N5O/c1-13-10-21-20(22-11-13)25-8-6-16(7-9-25)12-26-19-14(2)15(3)23-18(24-19)17-4-5-17/h10-11,16-17H,4-9,12H2,1-3H3
InChIKeyWJAJBTDMXKVXLV-UHFFFAOYSA-N
XLogP3.36
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4,5-dimethyl-6-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methoxy]pyrimidine?
The IUPAC name of 2-cyclopropyl-4,5-dimethyl-6-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methoxy]pyrimidine (CID 163356630) is 2-cyclopropyl-4,5-dimethyl-6-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methoxy]pyrimidine.
What is the SMILES notation for 2-cyclopropyl-4,5-dimethyl-6-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methoxy]pyrimidine?
The canonical SMILES for 2-cyclopropyl-4,5-dimethyl-6-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methoxy]pyrimidine is Cc1cnc(N2CCC(COc3nc(C4CC4)nc(C)c3C)CC2)nc1.
What is the InChIKey of 2-cyclopropyl-4,5-dimethyl-6-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methoxy]pyrimidine?
The InChIKey is WJAJBTDMXKVXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-13-10-21-20(22-11-13)25-8-6-16(7-9-25)12-26-19-14(2)15(3)23-18(24-19)17-4-5-17/h10-11,16-17H,4-9,12H2,1-3H3.
What are the key properties of 2-cyclopropyl-4,5-dimethyl-6-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methoxy]pyrimidine?
2-cyclopropyl-4,5-dimethyl-6-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methoxy]pyrimidine has a molecular weight of 353.47 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4,5-dimethyl-6-[[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]methoxy]pyrimidine is sourced from PubChem (CID 163356630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).