5-[2-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile

C24H27N7O — CID 66685059

IUPAC5-[2-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile
SMILESCN(C)CCOc1ccc(Nc2nccc(-c3ccc(N4CCCC4)c(C#N)c3)n2)cn1
InChIInChI=1S/C24H27N7O/c1-30(2)13-14-32-23-8-6-20(17-27-23)28-24-26-10-9-21(29-24)18-5-7-22(19(15-18)16-25)31-11-3-4-12-31/h5-10,15,17H,3-4,11-14H2,1-2H3,(H,26,28,29)
InChIKeyWCOBYEYBTIFDHO-UHFFFAOYSA-N
MW429.53 g/mol
LogP3.69
Rot. Bonds8

About 5-[2-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile

5-[2-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile (PubChem CID 66685059) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is 5-[2-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile.

Molecular Properties

Compound Name5-[2-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile
PubChem CID66685059
Molecular FormulaC24H27N7O
Molecular Weight429.53 g/mol
Exact Mass429.23
IUPAC Name5-[2-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile
SMILESCN(C)CCOc1ccc(Nc2nccc(-c3ccc(N4CCCC4)c(C#N)c3)n2)cn1
InChIInChI=1S/C24H27N7O/c1-30(2)13-14-32-23-8-6-20(17-27-23)28-24-26-10-9-21(29-24)18-5-7-22(19(15-18)16-25)31-11-3-4-12-31/h5-10,15,17H,3-4,11-14H2,1-2H3,(H,26,28,29)
InChIKeyWCOBYEYBTIFDHO-UHFFFAOYSA-N
XLogP3.69
TPSA90.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-[2-Methyl-3-(2-pyridin-2-yloxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135336101
6-((1-(4-cyano-3-(naphthalen-1-yl)benzyl)-1H-imidazol-5-yl)methoxy)nicotinonitrile
CID 44395033
1-[2-(Pyridin-2-ylmethyloxy)pyridin-5-ylcarbamoyl]-5trifluoromethylindoline
CID 10835585
[3-(2-Imidazol-1-yl-ethoxy)-phenyl]-(4-pyridin-3-yl-pyrimidin-2-yl)-amine
CID 11371778
N-[4-[2-(Dimethylamino)ethoxy]phenyl]-4-(3-pyridinyl)-2-pyrimidinamine
CID 14347179
N-[4-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-4-ylpyrimidin-2-amine
CID 14347181
N-[4-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 14347182
N-(2,6-dimethylphenyl)-5-[4-(2-pyrrolidin-1-ylethoxy)phenyl]imidazo[1,5-a]pyrazin-8-amine
CID 16126744
(16E)-14-methyl-20-oxa-5,7,14,22,27-pentazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene
CID 16739948
(16E)-11-(2-pyrrolidin-1-ylethoxy)-14,20-dioxa-5,7,22,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene
CID 25154395
(16E)-3-methyl-11-(2-pyrrolidin-1-ylethoxy)-14,20-dioxa-5,7,22,27-tetrazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene
CID 25154436
3-(6-ethoxy-3-pyridinyl)-N-[(4-ethylphenyl)methyl]imidazo[4,5-b]pyridin-6-amine
CID 42602630

Frequently Asked Questions

What is the IUPAC name of 5-[2-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile?
The IUPAC name of 5-[2-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile (CID 66685059) is 5-[2-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile.
What is the SMILES notation for 5-[2-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile?
The canonical SMILES for 5-[2-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile is CN(C)CCOc1ccc(Nc2nccc(-c3ccc(N4CCCC4)c(C#N)c3)n2)cn1.
What is the InChIKey of 5-[2-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile?
The InChIKey is WCOBYEYBTIFDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O/c1-30(2)13-14-32-23-8-6-20(17-27-23)28-24-26-10-9-21(29-24)18-5-7-22(19(15-18)16-25)31-11-3-4-12-31/h5-10,15,17H,3-4,11-14H2,1-2H3,(H,26,28,29).
What are the key properties of 5-[2-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile?
5-[2-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile has a molecular weight of 429.53 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[[6-[2-(dimethylamino)ethoxy]-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyrrolidin-1-ylbenzonitrile is sourced from PubChem (CID 66685059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).