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

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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).