N-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-8-yl)ethyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine

C20H21N5O — CID 130428708

IUPACN-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-8-yl)ethyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine
SMILESCc1ccc(-c2cc(NCCc3ccnc4c3OCCC4)ncn2)cn1
InChIInChI=1S/C20H21N5O/c1-14-4-5-16(12-23-14)18-11-19(25-13-24-18)22-9-7-15-6-8-21-17-3-2-10-26-20(15)17/h4-6,8,11-13H,2-3,7,9-10H2,1H3,(H,22,24,25)
InChIKeyRYUOODBPJUROHD-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.22
Rot. Bonds5

About N-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-8-yl)ethyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine

N-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-8-yl)ethyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine (PubChem CID 130428708) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is N-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-8-yl)ethyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-8-yl)ethyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine
PubChem CID130428708
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC NameN-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-8-yl)ethyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine
SMILESCc1ccc(-c2cc(NCCc3ccnc4c3OCCC4)ncn2)cn1
InChIInChI=1S/C20H21N5O/c1-14-4-5-16(12-23-14)18-11-19(25-13-24-18)22-9-7-15-6-8-21-17-3-2-10-26-20(15)17/h4-6,8,11-13H,2-3,7,9-10H2,1H3,(H,22,24,25)
InChIKeyRYUOODBPJUROHD-UHFFFAOYSA-N
XLogP3.22
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-8-yl)ethyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine with MolForge

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Related Compounds

N-[2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine
CID 123861941
N-[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-[6-(ethylamino)-3-pyridinyl]pyrimidin-4-amine;sulfane
CID 162215068
N-[(2S)-2-(3,3-dimethyl-2H-furo[3,2-b]pyridin-7-yl)propyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine;sulfane
CID 158017312
N-[(2S)-2-[(3S)-3-methyl-2,3-dihydrofuro[3,2-b]pyridin-7-yl]propyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine
CID 118982627
6-[6-(ethylamino)-3-pyridinyl]-N-[2-(1,5-naphthyridin-4-yl)ethyl]pyrimidin-4-amine
CID 123280961
[8-[1-[[6-(6-methyl-3-pyridinyl)pyrimidin-4-yl]amino]propan-2-yl]quinolin-4-yl]methanol
CID 135217314
N-[(2S)-2-(5-methyl-2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-quinolin-6-ylpyrimidin-4-amine;sulfane
CID 162158891
2-[5-[6-[2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propylamino]pyrimidin-4-yl]pyrazolo[3,4-b]pyridin-1-yl]ethanol
CID 118982561
N'-[5-[6-[[(2S)-3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)-2-methylbutyl]amino]pyrimidin-4-yl]-2-pyridinyl]-N-methylethane-1,2-diamine
CID 155439991
7-methyl-2,3-dihydrofuro[3,2-b]pyridine
CID 89340050
2-[4-[6-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]pyrimidin-4-yl]-2-propylphenyl]acetic acid
CID 135382045
6-(2,3-dihydro-1-benzofuran-7-yl)-N-propylpyrimidin-4-amine
CID 114747290

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-8-yl)ethyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine?
The IUPAC name of N-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-8-yl)ethyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine (CID 130428708) is N-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-8-yl)ethyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-8-yl)ethyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for N-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-8-yl)ethyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine is Cc1ccc(-c2cc(NCCc3ccnc4c3OCCC4)ncn2)cn1.
What is the InChIKey of N-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-8-yl)ethyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine?
The InChIKey is RYUOODBPJUROHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-14-4-5-16(12-23-14)18-11-19(25-13-24-18)22-9-7-15-6-8-21-17-3-2-10-26-20(15)17/h4-6,8,11-13H,2-3,7,9-10H2,1H3,(H,22,24,25).
What are the key properties of N-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-8-yl)ethyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine?
N-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-8-yl)ethyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine has a molecular weight of 347.42 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-8-yl)ethyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 130428708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).