N-[2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine

C18H18N6O — CID 123861941

IUPACN-[2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine
SMILESCc1ncc(-c2cc(NCCc3ccnc4c3OCC4)ncn2)cn1
InChIInChI=1S/C18H18N6O/c1-12-21-9-14(10-22-12)16-8-17(24-11-23-16)20-6-3-13-2-5-19-15-4-7-25-18(13)15/h2,5,8-11H,3-4,6-7H2,1H3,(H,20,23,24)
InChIKeyWAOQNVINOABQNZ-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.23
Rot. Bonds5

About N-[2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine

N-[2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine (PubChem CID 123861941) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is N-[2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine
PubChem CID123861941
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC NameN-[2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine
SMILESCc1ncc(-c2cc(NCCc3ccnc4c3OCC4)ncn2)cn1
InChIInChI=1S/C18H18N6O/c1-12-21-9-14(10-22-12)16-8-17(24-11-23-16)20-6-3-13-2-5-19-15-4-7-25-18(13)15/h2,5,8-11H,3-4,6-7H2,1H3,(H,20,23,24)
InChIKeyWAOQNVINOABQNZ-UHFFFAOYSA-N
XLogP2.23
TPSA85.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-8-yl)ethyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine
CID 130428708
N-[2-(2-methoxyphenyl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine
CID 123915678
N-[(2S)-2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-[6-(ethylamino)-3-pyridinyl]pyrimidin-4-amine;sulfane
CID 162215068
7-methyl-2,3-dihydrofuro[3,2-b]pyridine
CID 89340050
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
6-(2,3-dihydro-1-benzofuran-7-yl)-N-propylpyrimidin-4-amine
CID 114747290
N-methyl-8-[(2S)-1-[[6-(2-methylpyrimidin-5-yl)pyrimidin-4-yl]amino]propan-2-yl]-2,3-dihydro-1,4-benzoxazine-4-carboxamide
CID 118982718
6-[6-(ethylamino)-3-pyridinyl]-N-[2-(1,5-naphthyridin-4-yl)ethyl]pyrimidin-4-amine
CID 123280961
N-[2-(2-methoxyphenyl)ethyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine
CID 123763987
6-(5-amino-6-fluoro-3-pyridinyl)-N-[3-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-8-yl)butyl]pyrimidin-4-amine
CID 123549858
N-[(2S)-2-(5-methyl-2,3-dihydrofuro[3,2-b]pyridin-7-yl)propyl]-6-quinolin-6-ylpyrimidin-4-amine;sulfane
CID 162158891
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine?
The IUPAC name of N-[2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine (CID 123861941) is N-[2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine?
The canonical SMILES for N-[2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine is Cc1ncc(-c2cc(NCCc3ccnc4c3OCC4)ncn2)cn1.
What is the InChIKey of N-[2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine?
The InChIKey is WAOQNVINOABQNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-12-21-9-14(10-22-12)16-8-17(24-11-23-16)20-6-3-13-2-5-19-15-4-7-25-18(13)15/h2,5,8-11H,3-4,6-7H2,1H3,(H,20,23,24).
What are the key properties of N-[2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine?
N-[2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine has a molecular weight of 334.38 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dihydrofuro[3,2-b]pyridin-7-yl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine is sourced from PubChem (CID 123861941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).