4-[4-[(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrido[3,4-d]pyrimidine

C22H26N6O — CID 163345001

IUPAC4-[4-[(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrido[3,4-d]pyrimidine
SMILESCc1nc(C2CC2)nc(OCC2CCN(c3ncnc4cnccc34)CC2)c1C
InChIInChI=1S/C22H26N6O/c1-14-15(2)26-20(17-3-4-17)27-22(14)29-12-16-6-9-28(10-7-16)21-18-5-8-23-11-19(18)24-13-25-21/h5,8,11,13,16-17H,3-4,6-7,9-10,12H2,1-2H3
InChIKeyMJHPQXXBLRSZSX-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.60
Rot. Bonds5

About 4-[4-[(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrido[3,4-d]pyrimidine

4-[4-[(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrido[3,4-d]pyrimidine (PubChem CID 163345001) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-[4-[(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-[4-[(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrido[3,4-d]pyrimidine
PubChem CID163345001
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name4-[4-[(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrido[3,4-d]pyrimidine
SMILESCc1nc(C2CC2)nc(OCC2CCN(c3ncnc4cnccc34)CC2)c1C
InChIInChI=1S/C22H26N6O/c1-14-15(2)26-20(17-3-4-17)27-22(14)29-12-16-6-9-28(10-7-16)21-18-5-8-23-11-19(18)24-13-25-21/h5,8,11,13,16-17H,3-4,6-7,9-10,12H2,1-2H3
InChIKeyMJHPQXXBLRSZSX-UHFFFAOYSA-N
XLogP3.60
TPSA76.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrido[3,4-d]pyrimidine?
The IUPAC name of 4-[4-[(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrido[3,4-d]pyrimidine (CID 163345001) is 4-[4-[(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-[4-[(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-[4-[(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrido[3,4-d]pyrimidine is Cc1nc(C2CC2)nc(OCC2CCN(c3ncnc4cnccc34)CC2)c1C.
What is the InChIKey of 4-[4-[(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrido[3,4-d]pyrimidine?
The InChIKey is MJHPQXXBLRSZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-14-15(2)26-20(17-3-4-17)27-22(14)29-12-16-6-9-28(10-7-16)21-18-5-8-23-11-19(18)24-13-25-21/h5,8,11,13,16-17H,3-4,6-7,9-10,12H2,1-2H3.
What are the key properties of 4-[4-[(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrido[3,4-d]pyrimidine?
4-[4-[(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrido[3,4-d]pyrimidine has a molecular weight of 390.49 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)oxymethyl]piperidin-1-yl]pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 163345001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).