2-cyclopropyl-4-methyl-6-[4-[2-methylsulfanyl-6-(oxan-4-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine

C22H30N6OS — CID 155980467

IUPAC2-cyclopropyl-4-methyl-6-[4-[2-methylsulfanyl-6-(oxan-4-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine
SMILESCSc1nc(C2CCOCC2)cc(N2CCN(c3cc(C)nc(C4CC4)n3)CC2)n1
InChIInChI=1S/C22H30N6OS/c1-15-13-19(25-21(23-15)17-3-4-17)27-7-9-28(10-8-27)20-14-18(24-22(26-20)30-2)16-5-11-29-12-6-16/h13-14,16-17H,3-12H2,1-2H3
InChIKeyUMACMUKMDGFDRL-UHFFFAOYSA-N
MW426.59 g/mol
LogP3.39
Rot. Bonds5

About 2-cyclopropyl-4-methyl-6-[4-[2-methylsulfanyl-6-(oxan-4-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine

2-cyclopropyl-4-methyl-6-[4-[2-methylsulfanyl-6-(oxan-4-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine (PubChem CID 155980467) has the molecular formula C22H30N6OS and a molecular weight of 426.59 g/mol. Its IUPAC name is 2-cyclopropyl-4-methyl-6-[4-[2-methylsulfanyl-6-(oxan-4-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-4-methyl-6-[4-[2-methylsulfanyl-6-(oxan-4-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine
PubChem CID155980467
Molecular FormulaC22H30N6OS
Molecular Weight426.59 g/mol
Exact Mass426.22
IUPAC Name2-cyclopropyl-4-methyl-6-[4-[2-methylsulfanyl-6-(oxan-4-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine
SMILESCSc1nc(C2CCOCC2)cc(N2CCN(c3cc(C)nc(C4CC4)n3)CC2)n1
InChIInChI=1S/C22H30N6OS/c1-15-13-19(25-21(23-15)17-3-4-17)27-7-9-28(10-8-27)20-14-18(24-22(26-20)30-2)16-5-11-29-12-6-16/h13-14,16-17H,3-12H2,1-2H3
InChIKeyUMACMUKMDGFDRL-UHFFFAOYSA-N
XLogP3.39
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.59
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[6-[4-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 146079760
2-cyclopropyl-4-(oxan-4-yl)-6-piperazin-1-ylpyrimidine
CID 163346691
4-cyclopropyl-6-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]-2-methylsulfanylpyrimidine
CID 155798373
4-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-cyclopropyl-6-(oxan-4-yl)pyrimidine
CID 155980365
4-[[4-[2-cyclopropyl-6-(oxan-4-yl)pyrimidin-4-yl]piperazin-1-yl]methyl]-1-methylpyridin-2-one
CID 155980384
4-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]morpholine
CID 172899302
2-cyclopropyl-N-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 80956626
4-methyl-6-(oxan-4-yl)-2-piperidin-4-ylpyrimidine
CID 116893458
2-cyclopropyl-4-[4-(6-methyl-2-methylsulfanylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
CID 163348616
N-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylmorpholine-4-carboxamide
CID 172892797
5-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine
CID 71976428
2-(azetidin-3-yl)-4-methyl-6-(oxan-4-yl)pyrimidine
CID 116893325

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-methyl-6-[4-[2-methylsulfanyl-6-(oxan-4-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-cyclopropyl-4-methyl-6-[4-[2-methylsulfanyl-6-(oxan-4-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine (CID 155980467) is 2-cyclopropyl-4-methyl-6-[4-[2-methylsulfanyl-6-(oxan-4-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-cyclopropyl-4-methyl-6-[4-[2-methylsulfanyl-6-(oxan-4-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-cyclopropyl-4-methyl-6-[4-[2-methylsulfanyl-6-(oxan-4-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine is CSc1nc(C2CCOCC2)cc(N2CCN(c3cc(C)nc(C4CC4)n3)CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-methyl-6-[4-[2-methylsulfanyl-6-(oxan-4-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine?
The InChIKey is UMACMUKMDGFDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6OS/c1-15-13-19(25-21(23-15)17-3-4-17)27-7-9-28(10-8-27)20-14-18(24-22(26-20)30-2)16-5-11-29-12-6-16/h13-14,16-17H,3-12H2,1-2H3.
What are the key properties of 2-cyclopropyl-4-methyl-6-[4-[2-methylsulfanyl-6-(oxan-4-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine?
2-cyclopropyl-4-methyl-6-[4-[2-methylsulfanyl-6-(oxan-4-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine has a molecular weight of 426.59 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-methyl-6-[4-[2-methylsulfanyl-6-(oxan-4-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 155980467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).