N-[[6-(dimethylamino)-2-pyridinyl]methyl]-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C19H19N7 — CID 168933989

IUPACN-[[6-(dimethylamino)-2-pyridinyl]methyl]-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(C)c1cccc(CNc2ncnc3[nH]cc(-c4cccnc4)c23)n1
InChIInChI=1S/C19H19N7/c1-26(2)16-7-3-6-14(25-16)10-21-18-17-15(13-5-4-8-20-9-13)11-22-19(17)24-12-23-18/h3-9,11-12H,10H2,1-2H3,(H2,21,22,23,24)
InChIKeyZHAKTLVBFXJDTR-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.09
Rot. Bonds5

About N-[[6-(dimethylamino)-2-pyridinyl]methyl]-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-[[6-(dimethylamino)-2-pyridinyl]methyl]-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 168933989) has the molecular formula C19H19N7 and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[[6-(dimethylamino)-2-pyridinyl]methyl]-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[[6-(dimethylamino)-2-pyridinyl]methyl]-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID168933989
Molecular FormulaC19H19N7
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC NameN-[[6-(dimethylamino)-2-pyridinyl]methyl]-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCN(C)c1cccc(CNc2ncnc3[nH]cc(-c4cccnc4)c23)n1
InChIInChI=1S/C19H19N7/c1-26(2)16-7-3-6-14(25-16)10-21-18-17-15(13-5-4-8-20-9-13)11-22-19(17)24-12-23-18/h3-9,11-12H,10H2,1-2H3,(H2,21,22,23,24)
InChIKeyZHAKTLVBFXJDTR-UHFFFAOYSA-N
XLogP3.09
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(dimethylamino)-2-pyridinyl]methyl]-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[[6-(dimethylamino)-2-pyridinyl]methyl]-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 168933989) is N-[[6-(dimethylamino)-2-pyridinyl]methyl]-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[[6-(dimethylamino)-2-pyridinyl]methyl]-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[[6-(dimethylamino)-2-pyridinyl]methyl]-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CN(C)c1cccc(CNc2ncnc3[nH]cc(-c4cccnc4)c23)n1.
What is the InChIKey of N-[[6-(dimethylamino)-2-pyridinyl]methyl]-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is ZHAKTLVBFXJDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7/c1-26(2)16-7-3-6-14(25-16)10-21-18-17-15(13-5-4-8-20-9-13)11-22-19(17)24-12-23-18/h3-9,11-12H,10H2,1-2H3,(H2,21,22,23,24).
What are the key properties of N-[[6-(dimethylamino)-2-pyridinyl]methyl]-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[[6-(dimethylamino)-2-pyridinyl]methyl]-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 345.41 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(dimethylamino)-2-pyridinyl]methyl]-5-pyridin-3-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 168933989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).