2-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide

C20H25N9O2 — CID 71799641

IUPAC2-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide
SMILESCc1nc(NCCNC(=O)c2cc(-n3cccn3)nc(C)n2)cc(N2CCOCC2)n1
InChIInChI=1S/C20H25N9O2/c1-14-24-16(12-19(27-14)29-7-3-4-23-29)20(30)22-6-5-21-17-13-18(26-15(2)25-17)28-8-10-31-11-9-28/h3-4,7,12-13H,5-6,8-11H2,1-2H3,(H,22,30)(H,21,25,26)
InChIKeyBEGJEKABPFAHER-UHFFFAOYSA-N
MW423.48 g/mol
LogP0.75
Rot. Bonds7

About 2-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide

2-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide (PubChem CID 71799641) has the molecular formula C20H25N9O2 and a molecular weight of 423.48 g/mol. Its IUPAC name is 2-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide
PubChem CID71799641
Molecular FormulaC20H25N9O2
Molecular Weight423.48 g/mol
Exact Mass423.21
IUPAC Name2-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide
SMILESCc1nc(NCCNC(=O)c2cc(-n3cccn3)nc(C)n2)cc(N2CCOCC2)n1
InChIInChI=1S/C20H25N9O2/c1-14-24-16(12-19(27-14)29-7-3-4-23-29)20(30)22-6-5-21-17-13-18(26-15(2)25-17)28-8-10-31-11-9-28/h3-4,7,12-13H,5-6,8-11H2,1-2H3,(H,22,30)(H,21,25,26)
InChIKeyBEGJEKABPFAHER-UHFFFAOYSA-N
XLogP0.75
TPSA122.98 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide (CID 71799641) is 2-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide is Cc1nc(NCCNC(=O)c2cc(-n3cccn3)nc(C)n2)cc(N2CCOCC2)n1.
What is the InChIKey of 2-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide?
The InChIKey is BEGJEKABPFAHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N9O2/c1-14-24-16(12-19(27-14)29-7-3-4-23-29)20(30)22-6-5-21-17-13-18(26-15(2)25-17)28-8-10-31-11-9-28/h3-4,7,12-13H,5-6,8-11H2,1-2H3,(H,22,30)(H,21,25,26).
What are the key properties of 2-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide?
2-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide has a molecular weight of 423.48 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]-6-pyrazol-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 71799641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).