N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]pyrazine-2-carboxamide

C26H24N6O3 — CID 69245334

IUPACN-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(-c2cc(N3CCOCC3)nc(-c3cccc(CO)c3)n2)cc1)c1cnccn1
InChIInChI=1S/C26H24N6O3/c33-17-18-2-1-3-20(14-18)25-30-22(15-24(31-25)32-10-12-35-13-11-32)19-4-6-21(7-5-19)29-26(34)23-16-27-8-9-28-23/h1-9,14-16,33H,10-13,17H2,(H,29,34)
InChIKeyDMKMMAUBMFYASF-UHFFFAOYSA-N
MW468.52 g/mol
LogP3.18
Rot. Bonds6

About N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]pyrazine-2-carboxamide

N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]pyrazine-2-carboxamide (PubChem CID 69245334) has the molecular formula C26H24N6O3 and a molecular weight of 468.52 g/mol. Its IUPAC name is N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]pyrazine-2-carboxamide
PubChem CID69245334
Molecular FormulaC26H24N6O3
Molecular Weight468.52 g/mol
Exact Mass468.19
IUPAC NameN-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]pyrazine-2-carboxamide
SMILESO=C(Nc1ccc(-c2cc(N3CCOCC3)nc(-c3cccc(CO)c3)n2)cc1)c1cnccn1
InChIInChI=1S/C26H24N6O3/c33-17-18-2-1-3-20(14-18)25-30-22(15-24(31-25)32-10-12-35-13-11-32)19-4-6-21(7-5-19)29-26(34)23-16-27-8-9-28-23/h1-9,14-16,33H,10-13,17H2,(H,29,34)
InChIKeyDMKMMAUBMFYASF-UHFFFAOYSA-N
XLogP3.18
TPSA113.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]pyrazine-2-carboxamide?
The IUPAC name of N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]pyrazine-2-carboxamide (CID 69245334) is N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]pyrazine-2-carboxamide is O=C(Nc1ccc(-c2cc(N3CCOCC3)nc(-c3cccc(CO)c3)n2)cc1)c1cnccn1.
What is the InChIKey of N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]pyrazine-2-carboxamide?
The InChIKey is DMKMMAUBMFYASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O3/c33-17-18-2-1-3-20(14-18)25-30-22(15-24(31-25)32-10-12-35-13-11-32)19-4-6-21(7-5-19)29-26(34)23-16-27-8-9-28-23/h1-9,14-16,33H,10-13,17H2,(H,29,34).
What are the key properties of N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]pyrazine-2-carboxamide?
N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]pyrazine-2-carboxamide has a molecular weight of 468.52 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-4-ylpyrimidin-4-yl]phenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 69245334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).