N-[4-(3-methylmorpholin-4-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine

C18H19N5O — CID 166296585

IUPACN-[4-(3-methylmorpholin-4-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine
SMILESCC1COCCN1c1ccc(Nc2ncc3cccnc3n2)cc1
InChIInChI=1S/C18H19N5O/c1-13-12-24-10-9-23(13)16-6-4-15(5-7-16)21-18-20-11-14-3-2-8-19-17(14)22-18/h2-8,11,13H,9-10,12H2,1H3,(H,19,20,21,22)
InChIKeyKFXKXSMUSNCOLR-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.99
Rot. Bonds3

About N-[4-(3-methylmorpholin-4-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine

N-[4-(3-methylmorpholin-4-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine (PubChem CID 166296585) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[4-(3-methylmorpholin-4-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-(3-methylmorpholin-4-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine
PubChem CID166296585
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-[4-(3-methylmorpholin-4-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine
SMILESCC1COCCN1c1ccc(Nc2ncc3cccnc3n2)cc1
InChIInChI=1S/C18H19N5O/c1-13-12-24-10-9-23(13)16-6-4-15(5-7-16)21-18-20-11-14-3-2-8-19-17(14)22-18/h2-8,11,13H,9-10,12H2,1H3,(H,19,20,21,22)
InChIKeyKFXKXSMUSNCOLR-UHFFFAOYSA-N
XLogP2.99
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3-methylmorpholin-4-yl)phenyl]acetamide
CID 110637361
N-[4-(3-methylmorpholin-4-yl)phenyl]ethanesulfonamide
CID 110637445
5-methyl-N-[4-(3-methylmorpholin-4-yl)phenyl]-1,3-benzoxazol-2-amine
CID 166211073
(3R)-4-(4-bromophenyl)-3-methylmorpholine
CID 134252905
2-methyl-N-[4-(3-methylmorpholin-4-yl)phenyl]benzenesulfonamide
CID 110637491
2-cyano-N-[4-(3-methylmorpholin-4-yl)phenyl]benzenesulfonamide
CID 110637498
4-(2-iodopyrido[3,2-d]pyrimidin-4-yl)-3-methylmorpholine
CID 168922548
3-methyl-4-(4-propan-2-ylphenyl)morpholine
CID 155453612
(3R)-3-methyl-4-(4-propan-2-ylphenyl)morpholine
CID 159859057
N-methyl-1-[4-(3-methylmorpholin-4-yl)phenyl]methanamine
CID 43542433
1-[[6-(3-methylmorpholin-4-yl)-2-pyridinyl]methyl]-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 66765512
[4-(3-methylmorpholin-4-yl)phenyl]methanol
CID 43542363

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methylmorpholin-4-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-[4-(3-methylmorpholin-4-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine (CID 166296585) is N-[4-(3-methylmorpholin-4-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-[4-(3-methylmorpholin-4-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-[4-(3-methylmorpholin-4-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine is CC1COCCN1c1ccc(Nc2ncc3cccnc3n2)cc1.
What is the InChIKey of N-[4-(3-methylmorpholin-4-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine?
The InChIKey is KFXKXSMUSNCOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-13-12-24-10-9-23(13)16-6-4-15(5-7-16)21-18-20-11-14-3-2-8-19-17(14)22-18/h2-8,11,13H,9-10,12H2,1H3,(H,19,20,21,22).
What are the key properties of N-[4-(3-methylmorpholin-4-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine?
N-[4-(3-methylmorpholin-4-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine has a molecular weight of 321.38 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylmorpholin-4-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 166296585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).