2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-(4-methoxy-2-pyridinyl)-4-N-methylpyrimidine-2,4-diamine

C25H31N7O3 — CID 42645244

IUPAC2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-(4-methoxy-2-pyridinyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCOc1ccnc(N(C)c2ccnc(Nc3cc(N4CCOCC4)cc(N4CCOCC4)c3)n2)c1
InChIInChI=1S/C25H31N7O3/c1-30(24-18-22(33-2)3-5-26-24)23-4-6-27-25(29-23)28-19-15-20(31-7-11-34-12-8-31)17-21(16-19)32-9-13-35-14-10-32/h3-6,15-18H,7-14H2,1-2H3,(H,27,28,29)
InChIKeyDNEDXZCYNMEXKI-UHFFFAOYSA-N
MW477.57 g/mol
LogP3.06
Rot. Bonds7

About 2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-(4-methoxy-2-pyridinyl)-4-N-methylpyrimidine-2,4-diamine

2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-(4-methoxy-2-pyridinyl)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 42645244) has the molecular formula C25H31N7O3 and a molecular weight of 477.57 g/mol. Its IUPAC name is 2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-(4-methoxy-2-pyridinyl)-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-(4-methoxy-2-pyridinyl)-4-N-methylpyrimidine-2,4-diamine
PubChem CID42645244
Molecular FormulaC25H31N7O3
Molecular Weight477.57 g/mol
Exact Mass477.25
IUPAC Name2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-(4-methoxy-2-pyridinyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCOc1ccnc(N(C)c2ccnc(Nc3cc(N4CCOCC4)cc(N4CCOCC4)c3)n2)c1
InChIInChI=1S/C25H31N7O3/c1-30(24-18-22(33-2)3-5-26-24)23-4-6-27-25(29-23)28-19-15-20(31-7-11-34-12-8-31)17-21(16-19)32-9-13-35-14-10-32/h3-6,15-18H,7-14H2,1-2H3,(H,27,28,29)
InChIKeyDNEDXZCYNMEXKI-UHFFFAOYSA-N
XLogP3.06
TPSA88.11 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-(4-methoxy-2-pyridinyl)-4-N-methylpyrimidine-2,4-diamine 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 2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-(4-methoxy-2-pyridinyl)-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-(4-methoxy-2-pyridinyl)-4-N-methylpyrimidine-2,4-diamine (CID 42645244) is 2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-(4-methoxy-2-pyridinyl)-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-(4-methoxy-2-pyridinyl)-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-(4-methoxy-2-pyridinyl)-4-N-methylpyrimidine-2,4-diamine is COc1ccnc(N(C)c2ccnc(Nc3cc(N4CCOCC4)cc(N4CCOCC4)c3)n2)c1.
What is the InChIKey of 2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-(4-methoxy-2-pyridinyl)-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is DNEDXZCYNMEXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N7O3/c1-30(24-18-22(33-2)3-5-26-24)23-4-6-27-25(29-23)28-19-15-20(31-7-11-34-12-8-31)17-21(16-19)32-9-13-35-14-10-32/h3-6,15-18H,7-14H2,1-2H3,(H,27,28,29).
What are the key properties of 2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-(4-methoxy-2-pyridinyl)-4-N-methylpyrimidine-2,4-diamine?
2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-(4-methoxy-2-pyridinyl)-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 477.57 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,5-dimorpholin-4-ylphenyl)-4-N-(4-methoxy-2-pyridinyl)-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 42645244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).