N,N-dimethyl-2-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine

C18H26N8O — CID 136516363

IUPACN,N-dimethyl-2-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
SMILESCN(C)c1ccnc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)n1
InChIInChI=1S/C18H26N8O/c1-23(2)15-3-4-19-18(22-15)26-7-5-24(6-8-26)16-13-17(21-14-20-16)25-9-11-27-12-10-25/h3-4,13-14H,5-12H2,1-2H3
InChIKeyCGJMPXDHOWXCHA-UHFFFAOYSA-N
MW370.46 g/mol
LogP0.50
Rot. Bonds4

About N,N-dimethyl-2-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine

N,N-dimethyl-2-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine (PubChem CID 136516363) has the molecular formula C18H26N8O and a molecular weight of 370.46 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
PubChem CID136516363
Molecular FormulaC18H26N8O
Molecular Weight370.46 g/mol
Exact Mass370.22
IUPAC NameN,N-dimethyl-2-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine
SMILESCN(C)c1ccnc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)n1
InChIInChI=1S/C18H26N8O/c1-23(2)15-3-4-19-18(22-15)26-7-5-24(6-8-26)16-13-17(21-14-20-16)25-9-11-27-12-10-25/h3-4,13-14H,5-12H2,1-2H3
InChIKeyCGJMPXDHOWXCHA-UHFFFAOYSA-N
XLogP0.50
TPSA73.75 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N,N-dimethyl-2-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine with MolForge

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Related Compounds

CP-642931
CID 10132209
CP-470,711
CID 9841731
(R)-1-(4-{(3S,5R)-4-[2-((S)-1-Hydroxy-ethyl)-pyrimidin-4-yl]-3,5-dimethyl-piperazin-1-yl}-pyrimidin-2-yl)-ethanol
CID 9924967
1-{4-[2,6-Dimethyl-4-(4-methyl-[1,3,5]triazin-2-yl)-piperazin-1-yl]-pyrimidin-2-yl}-ethanol
CID 9945366
1-(4-{4-[2-(1-Hydroxy-ethyl)-pyrimidin-4-yl]-2,6-dimethyl-piperazin-1-yl}-pyrimidin-2-yl)-ethanol
CID 9968745
(S)-1-(4-{2,6-Dimethyl-4-[2-(4-methyl-piperazin-1-yl)-pyrimidin-4-yl]-piperazin-1-yl}-pyrimidin-2-yl)-ethanol
CID 10295175
1-(4-{(3S,5R)-4-[2-(1-Hydroxy-ethyl)-pyrimidin-4-yl]-3,5-dimethyl-piperazin-1-yl}-pyrimidin-2-yl)-ethanol
CID 44283102
(S)-1-(4-{(3S,5R)-4-[2-((S)-1-Hydroxy-ethyl)-pyrimidin-4-yl]-3,5-dimethyl-piperazin-1-yl}-pyrimidin-2-yl)-ethanol
CID 44283319
1-(4-{4-[2-(2-Hydroxy-ethyl)-pyrimidin-4-yl]-2-methyl-piperazin-1-yl}-pyrimidin-2-yl)-ethanol
CID 44366419
4-(2-Chloropyrimidin-4-yl)morpholine
CID 1714697
(1S)-1-[4-[(2S,6R)-2,6-dimethyl-4-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]ethanol
CID 10938541
{4-[4-(4,6-Dichloro-[1,3,5]triazin-2-yl)-piperazin-1-yl]-pyrimidin-2-yl}-methanol
CID 10969917

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-2-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine (CID 136516363) is N,N-dimethyl-2-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-2-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine is CN(C)c1ccnc(N2CCN(c3cc(N4CCOCC4)ncn3)CC2)n1.
What is the InChIKey of N,N-dimethyl-2-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine?
The InChIKey is CGJMPXDHOWXCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N8O/c1-23(2)15-3-4-19-18(22-15)26-7-5-24(6-8-26)16-13-17(21-14-20-16)25-9-11-27-12-10-25/h3-4,13-14H,5-12H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine?
N,N-dimethyl-2-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine has a molecular weight of 370.46 g/mol, XLogP of 0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 136516363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).