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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).