N-methyl-4-pyrido[3,4-d]pyrimidin-4-ylmorpholine-2-carboxamide

C13H15N5O2 — CID 166601055

IUPACN-methyl-4-pyrido[3,4-d]pyrimidin-4-ylmorpholine-2-carboxamide
SMILESCNC(=O)C1CN(c2ncnc3cnccc23)CCO1
InChIInChI=1S/C13H15N5O2/c1-14-13(19)11-7-18(4-5-20-11)12-9-2-3-15-6-10(9)16-8-17-12/h2-3,6,8,11H,4-5,7H2,1H3,(H,14,19)
InChIKeyARXFUIYEJCMMQO-UHFFFAOYSA-N
MW273.30 g/mol
LogP-0.02
Rot. Bonds2

About N-methyl-4-pyrido[3,4-d]pyrimidin-4-ylmorpholine-2-carboxamide

N-methyl-4-pyrido[3,4-d]pyrimidin-4-ylmorpholine-2-carboxamide (PubChem CID 166601055) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is N-methyl-4-pyrido[3,4-d]pyrimidin-4-ylmorpholine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-pyrido[3,4-d]pyrimidin-4-ylmorpholine-2-carboxamide
PubChem CID166601055
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC NameN-methyl-4-pyrido[3,4-d]pyrimidin-4-ylmorpholine-2-carboxamide
SMILESCNC(=O)C1CN(c2ncnc3cnccc23)CCO1
InChIInChI=1S/C13H15N5O2/c1-14-13(19)11-7-18(4-5-20-11)12-9-2-3-15-6-10(9)16-8-17-12/h2-3,6,8,11H,4-5,7H2,1H3,(H,14,19)
InChIKeyARXFUIYEJCMMQO-UHFFFAOYSA-N
XLogP-0.02
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6g
CID 5328348
4-N-(3-methylphenyl)-6-N-[2-(morpholin-4-yl)ethyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328378
4-N-(3-methylphenyl)-6-N-[3-(morpholin-4-yl)propyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328379
N-(4-(3-(4-(4-Morpholinopyrido[3,2-d]pyrimidin-2-yl)phenyl)ureido)phenyl)acetamide
CID 137635885
1-[4-(4-Morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-3-phenylurea
CID 137653212
N4-cyclohexyl-N6-(2-morpholinoethyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 44592072
6-(2-methoxypyrimidin-5-yl)-2-(2-morpholinoethylamino)-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45272901
1-ethyl-3-[4-(4-morpholin-4-yl-6-pyrazin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)phenyl]urea
CID 59239188
7-[6-(dimethylamino)-3-pyridinyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113911
7-[6-(dimethylamino)-3-pyridinyl]-N-[[(2R)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113915
6-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]-4-morpholin-4-yl-2-N-phenylpyrido[3,4-d]pyrimidine-2,6-diamine
CID 141494014
N4-cyclohexyl-N6-(2-methoxyethyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 44592031

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-pyrido[3,4-d]pyrimidin-4-ylmorpholine-2-carboxamide?
The IUPAC name of N-methyl-4-pyrido[3,4-d]pyrimidin-4-ylmorpholine-2-carboxamide (CID 166601055) is N-methyl-4-pyrido[3,4-d]pyrimidin-4-ylmorpholine-2-carboxamide.
What is the SMILES notation for N-methyl-4-pyrido[3,4-d]pyrimidin-4-ylmorpholine-2-carboxamide?
The canonical SMILES for N-methyl-4-pyrido[3,4-d]pyrimidin-4-ylmorpholine-2-carboxamide is CNC(=O)C1CN(c2ncnc3cnccc23)CCO1.
What is the InChIKey of N-methyl-4-pyrido[3,4-d]pyrimidin-4-ylmorpholine-2-carboxamide?
The InChIKey is ARXFUIYEJCMMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-14-13(19)11-7-18(4-5-20-11)12-9-2-3-15-6-10(9)16-8-17-12/h2-3,6,8,11H,4-5,7H2,1H3,(H,14,19).
What are the key properties of N-methyl-4-pyrido[3,4-d]pyrimidin-4-ylmorpholine-2-carboxamide?
N-methyl-4-pyrido[3,4-d]pyrimidin-4-ylmorpholine-2-carboxamide has a molecular weight of 273.30 g/mol, XLogP of -0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-pyrido[3,4-d]pyrimidin-4-ylmorpholine-2-carboxamide is sourced from PubChem (CID 166601055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).