4-[4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]morpholine

C20H24N8O — CID 155981287

IUPAC4-[4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]morpholine
SMILESCc1nc(N2CCN(c3ccnc(N4CCOCC4)n3)CC2)c2ccncc2n1
InChIInChI=1S/C20H24N8O/c1-15-23-17-14-21-4-2-16(17)19(24-15)27-8-6-26(7-9-27)18-3-5-22-20(25-18)28-10-12-29-13-11-28/h2-5,14H,6-13H2,1H3
InChIKeyBFOCGVUGKOGKKH-UHFFFAOYSA-N
MW392.47 g/mol
LogP1.29
Rot. Bonds3

About 4-[4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]morpholine

4-[4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]morpholine (PubChem CID 155981287) has the molecular formula C20H24N8O and a molecular weight of 392.47 g/mol. Its IUPAC name is 4-[4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]morpholine
PubChem CID155981287
Molecular FormulaC20H24N8O
Molecular Weight392.47 g/mol
Exact Mass392.21
IUPAC Name4-[4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]morpholine
SMILESCc1nc(N2CCN(c3ccnc(N4CCOCC4)n3)CC2)c2ccncc2n1
InChIInChI=1S/C20H24N8O/c1-15-23-17-14-21-4-2-16(17)19(24-15)27-8-6-26(7-9-27)18-3-5-22-20(25-18)28-10-12-29-13-11-28/h2-5,14H,6-13H2,1H3
InChIKeyBFOCGVUGKOGKKH-UHFFFAOYSA-N
XLogP1.29
TPSA83.40 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]morpholine with MolForge

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Related Compounds

N-ethyl-4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine
CID 155976450
4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886572
4-(2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112884623
2-methyl-4-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
CID 154853620
2-methyl-4-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]pyrido[3,4-d]pyrimidine
CID 155976620
4-[4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 75450338
4-[2-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 146074332
4-[4-[4-(5-methyl-1,3,4-thiadiazol-2-yl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 146078224
4-[4-[6-(difluoromethyl)-2-methylsulfanylpyrimidin-4-yl]piperazin-1-yl]-2-methylpyrido[3,4-d]pyrimidine
CID 155798953
4-ethyl-1-(2-morpholin-4-ylpyrimidin-4-yl)piperidin-4-ol
CID 136530757
4-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-2-methylpyrido[3,4-d]pyrimidine
CID 165433565
4-[2-[4-(2-pyridin-3-ylethyl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 166604793

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]morpholine (CID 155981287) is 4-[4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]morpholine is Cc1nc(N2CCN(c3ccnc(N4CCOCC4)n3)CC2)c2ccncc2n1.
What is the InChIKey of 4-[4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]morpholine?
The InChIKey is BFOCGVUGKOGKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O/c1-15-23-17-14-21-4-2-16(17)19(24-15)27-8-6-26(7-9-27)18-3-5-22-20(25-18)28-10-12-29-13-11-28/h2-5,14H,6-13H2,1H3.
What are the key properties of 4-[4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]morpholine?
4-[4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]morpholine has a molecular weight of 392.47 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(2-methylpyrido[3,4-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 155981287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).