4-[6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine

C20H27N7O — CID 146079760

IUPAC4-[6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESCc1cc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)nc(C2CC2)n1
InChIInChI=1S/C20H27N7O/c1-15-12-19(24-20(23-15)16-2-3-16)26-6-4-25(5-7-26)17-13-18(22-14-21-17)27-8-10-28-11-9-27/h12-14,16H,2-11H2,1H3
InChIKeyQHSLCIGJFCPGBF-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.62
Rot. Bonds4

About 4-[6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine

4-[6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine (PubChem CID 146079760) has the molecular formula C20H27N7O and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-[6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
PubChem CID146079760
Molecular FormulaC20H27N7O
Molecular Weight381.48 g/mol
Exact Mass381.23
IUPAC Name4-[6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
SMILESCc1cc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)nc(C2CC2)n1
InChIInChI=1S/C20H27N7O/c1-15-12-19(24-20(23-15)16-2-3-16)26-6-4-25(5-7-26)17-13-18(22-14-21-17)27-8-10-28-11-9-27/h12-14,16H,2-11H2,1H3
InChIKeyQHSLCIGJFCPGBF-UHFFFAOYSA-N
XLogP1.62
TPSA70.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
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-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine (CID 146079760) is 4-[6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine is Cc1cc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)nc(C2CC2)n1.
What is the InChIKey of 4-[6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
The InChIKey is QHSLCIGJFCPGBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7O/c1-15-12-19(24-20(23-15)16-2-3-16)26-6-4-25(5-7-26)17-13-18(22-14-21-17)27-8-10-28-11-9-27/h12-14,16H,2-11H2,1H3.
What are the key properties of 4-[6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine?
4-[6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine has a molecular weight of 381.48 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 146079760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).