4-[6-[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine

C21H29N7O — CID 133461049

IUPAC4-[6-[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESCc1nc2c(c(N3CCN(c4cc(N5CCOCC5)ncn4)CC3)n1)CCCC2
InChIInChI=1S/C21H29N7O/c1-16-24-18-5-3-2-4-17(18)21(25-16)28-8-6-26(7-9-28)19-14-20(23-15-22-19)27-10-12-29-13-11-27/h14-15H,2-13H2,1H3
InChIKeyXCUIZQPMAONPHN-UHFFFAOYSA-N
MW395.51 g/mol
LogP1.62
Rot. Bonds3

About 4-[6-[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine

4-[6-[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine (PubChem CID 133461049) has the molecular formula C21H29N7O and a molecular weight of 395.51 g/mol. Its IUPAC name is 4-[6-[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
PubChem CID133461049
Molecular FormulaC21H29N7O
Molecular Weight395.51 g/mol
Exact Mass395.24
IUPAC Name4-[6-[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESCc1nc2c(c(N3CCN(c4cc(N5CCOCC5)ncn4)CC3)n1)CCCC2
InChIInChI=1S/C21H29N7O/c1-16-24-18-5-3-2-4-17(18)21(25-16)28-8-6-26(7-9-28)19-14-20(23-15-22-19)27-10-12-29-13-11-27/h14-15H,2-13H2,1H3
InChIKeyXCUIZQPMAONPHN-UHFFFAOYSA-N
XLogP1.62
TPSA70.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine (CID 133461049) is 4-[6-[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine is Cc1nc2c(c(N3CCN(c4cc(N5CCOCC5)ncn4)CC3)n1)CCCC2.
What is the InChIKey of 4-[6-[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The InChIKey is XCUIZQPMAONPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7O/c1-16-24-18-5-3-2-4-17(18)21(25-16)28-8-6-26(7-9-28)19-14-20(23-15-22-19)27-10-12-29-13-11-27/h14-15H,2-13H2,1H3.
What are the key properties of 4-[6-[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
4-[6-[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine has a molecular weight of 395.51 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 133461049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).