N-(1,3-benzodioxol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine

C18H13N5O2 — CID 11186576

IUPACN-(1,3-benzodioxol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESc1ccc(-n2ccc3cnc(Nc4ccc5c(c4)OCO5)nc32)nc1
InChIInChI=1S/C18H13N5O2/c1-2-7-19-16(3-1)23-8-6-12-10-20-18(22-17(12)23)21-13-4-5-14-15(9-13)25-11-24-14/h1-10H,11H2,(H,20,21,22)
InChIKeyCFMISVIWAIFUAD-UHFFFAOYSA-N
MW331.34 g/mol
LogP3.29
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine

N-(1,3-benzodioxol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 11186576) has the molecular formula C18H13N5O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID11186576
Molecular FormulaC18H13N5O2
Molecular Weight331.34 g/mol
Exact Mass331.11
IUPAC NameN-(1,3-benzodioxol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESc1ccc(-n2ccc3cnc(Nc4ccc5c(c4)OCO5)nc32)nc1
InChIInChI=1S/C18H13N5O2/c1-2-7-19-16(3-1)23-8-6-12-10-20-18(22-17(12)23)21-13-4-5-14-15(9-13)25-11-24-14/h1-10H,11H2,(H,20,21,22)
InChIKeyCFMISVIWAIFUAD-UHFFFAOYSA-N
XLogP3.29
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-Pyridin-2-YL-N-(3,4,5-trimethoxyphenyl)-7H-pyrrolo(2,3-D)pyrimidin-2-amine
CID 11957393
Pyrazolo[1,5-b]pyridazine deriv. 26
CID 6539368
Casein Kinase II Inhibitor IV
CID 11453158
7-(3-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 23646630
2-(1,3-benzodioxol-5-yl)-N-(3-pyridinylmethyl)-4-pyrimidinamine
CID 3234998
6-[(3,4-Dimethoxy-phenylamino)-methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 457354
3-(1,3-Benzodioxol-5-yl)-5-pyridin-4-ylimidazo[4,5-b]pyridine
CID 146316060
6-[(3-Methoxy-4-propoxy-anilino)methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 474750
6-[(3,4-dimethoxy-N-methyl-anilino)methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 457352
6-(5,6-Dimethoxy-2,3-dihydro-indol-1-ylmethyl)-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 469429
6-[(4,5-Dimethoxy-2-pyrrol-1-yl-phenylamino)-methyl]-5-methyl-pyrido[2,3-d]pyrimidine-2,4-diamine
CID 469433
6-[(3,4-Dimethoxyanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 472912

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine (CID 11186576) is N-(1,3-benzodioxol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine is c1ccc(-n2ccc3cnc(Nc4ccc5c(c4)OCO5)nc32)nc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is CFMISVIWAIFUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2/c1-2-7-19-16(3-1)23-8-6-12-10-20-18(22-17(12)23)21-13-4-5-14-15(9-13)25-11-24-14/h1-10H,11H2,(H,20,21,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
N-(1,3-benzodioxol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 331.34 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 11186576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).