N-(2-morpholin-4-ylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide

C17H22N6O2 — CID 109344569

IUPACN-(2-morpholin-4-ylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(NCc2ccncc2)ncn1
InChIInChI=1S/C17H22N6O2/c24-17(19-5-6-23-7-9-25-10-8-23)15-11-16(22-13-21-15)20-12-14-1-3-18-4-2-14/h1-4,11,13H,5-10,12H2,(H,19,24)(H,20,21,22)
InChIKeyVQLLJIQSKOOYEM-UHFFFAOYSA-N
MW342.40 g/mol
LogP0.55
Rot. Bonds7

About N-(2-morpholin-4-ylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide

N-(2-morpholin-4-ylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide (PubChem CID 109344569) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
PubChem CID109344569
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC NameN-(2-morpholin-4-ylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(NCc2ccncc2)ncn1
InChIInChI=1S/C17H22N6O2/c24-17(19-5-6-23-7-9-25-10-8-23)15-11-16(22-13-21-15)20-12-14-1-3-18-4-2-14/h1-4,11,13H,5-10,12H2,(H,19,24)(H,20,21,22)
InChIKeyVQLLJIQSKOOYEM-UHFFFAOYSA-N
XLogP0.55
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-morpholin-4-ylethyl)-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109344568
N-(pyridin-4-ylmethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350132
6-[3-(dimethylamino)propylamino]-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109344547
N-[2-(4-chlorophenyl)ethyl]-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344446
N-(furan-2-ylmethyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344416
N-(2-morpholin-4-ylethyl)-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109344651
N-(2-morpholin-4-ylethyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
CID 109277480
6-(3-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109344662
6-(benzylamino)-N-(2-morpholin-4-ylethyl)pyridazine-3-carboxamide
CID 109115651
5-[(4-chlorophenyl)methylamino]-N-(2-morpholin-4-ylethyl)pyrazine-2-carboxamide
CID 109277474
N-(4-ethylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344479
6-(3-chloro-4-fluoroanilino)-N-(2-morpholin-4-ylethyl)pyrimidine-4-carboxamide
CID 109344634

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide (CID 109344569) is N-(2-morpholin-4-ylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide is O=C(NCCN1CCOCC1)c1cc(NCc2ccncc2)ncn1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
The InChIKey is VQLLJIQSKOOYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c24-17(19-5-6-23-7-9-25-10-8-23)15-11-16(22-13-21-15)20-12-14-1-3-18-4-2-14/h1-4,11,13H,5-10,12H2,(H,19,24)(H,20,21,22).
What are the key properties of N-(2-morpholin-4-ylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide?
N-(2-morpholin-4-ylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109344569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).