2-chloro-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C16H19ClN6O — CID 167947731

IUPAC2-chloro-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(C)CCOc1cc(CNc2nc(Cl)nc3[nH]ccc23)ccn1
InChIInChI=1S/C16H19ClN6O/c1-23(2)7-8-24-13-9-11(3-5-18-13)10-20-15-12-4-6-19-14(12)21-16(17)22-15/h3-6,9H,7-8,10H2,1-2H3,(H2,19,20,21,22)
InChIKeyFAHNSXVUGONROA-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.56
Rot. Bonds7

About 2-chloro-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

2-chloro-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 167947731) has the molecular formula C16H19ClN6O and a molecular weight of 346.82 g/mol. Its IUPAC name is 2-chloro-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID167947731
Molecular FormulaC16H19ClN6O
Molecular Weight346.82 g/mol
Exact Mass346.13
IUPAC Name2-chloro-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(C)CCOc1cc(CNc2nc(Cl)nc3[nH]ccc23)ccn1
InChIInChI=1S/C16H19ClN6O/c1-23(2)7-8-24-13-9-11(3-5-18-13)10-20-15-12-4-6-19-14(12)21-16(17)22-15/h3-6,9H,7-8,10H2,1-2H3,(H2,19,20,21,22)
InChIKeyFAHNSXVUGONROA-UHFFFAOYSA-N
XLogP2.56
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-chloro-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-4,6-dimethylpyrimidin-2-amine
CID 133431338
2-chloro-N-[(6-methoxy-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166257711
2-chloro-N-[(3,4-difluorophenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166257712
6-bromo-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]quinazolin-4-amine
CID 133431334
2-chloro-N-[(6-methyl-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166257730
5-chloro-4-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methylamino]-1H-pyridazin-6-one
CID 133431333
N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-2-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 133462199
2-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methylamino]-3H-quinazolin-4-one
CID 137272351
N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 167886592
N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]thieno[3,2-b]pyridin-7-amine
CID 133431380
2-chloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166257719
3-[[4-(chloromethyl)-2-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 61269544

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 167947731) is 2-chloro-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CN(C)CCOc1cc(CNc2nc(Cl)nc3[nH]ccc23)ccn1.
What is the InChIKey of 2-chloro-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is FAHNSXVUGONROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6O/c1-23(2)7-8-24-13-9-11(3-5-18-13)10-20-15-12-4-6-19-14(12)21-16(17)22-15/h3-6,9H,7-8,10H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 2-chloro-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
2-chloro-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 346.82 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 167947731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).