4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine

C15H18N6O — CID 56899228

IUPAC4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCNc1cc(-c2cc(OC(C)C)nc(N)n2)c2cc[nH]c2n1
InChIInChI=1S/C15H18N6O/c1-8(2)22-13-7-11(19-15(16)21-13)10-6-12(17-3)20-14-9(10)4-5-18-14/h4-8H,1-3H3,(H2,16,19,21)(H2,17,18,20)
InChIKeyWSPFROOGTMGPQG-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.43
Rot. Bonds4

About 4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine

4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 56899228) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound Name4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID56899228
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCNc1cc(-c2cc(OC(C)C)nc(N)n2)c2cc[nH]c2n1
InChIInChI=1S/C15H18N6O/c1-8(2)22-13-7-11(19-15(16)21-13)10-6-12(17-3)20-14-9(10)4-5-18-14/h4-8H,1-3H3,(H2,16,19,21)(H2,17,18,20)
InChIKeyWSPFROOGTMGPQG-UHFFFAOYSA-N
XLogP2.43
TPSA101.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine with MolForge

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Related Compounds

N-methyl-4-[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56910474
2-[[4-(2-amino-6-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid
CID 70772763
N-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56916569
5-[6-(methylamino)-1H-pyrrolo[2,3-b]pyridin-4-yl]-1H-pyrimidine-2,4-dione
CID 56916433
4-isoquinolin-5-yl-6-propan-2-yloxypyrimidin-2-amine
CID 119062339
N-methyl-4-[4-(trifluoromethyl)-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56910762
6-but-3-yn-2-yloxy-4-N-methylpyrimidine-2,4-diamine
CID 106795434
4-[4-(2-amino-1H-imidazol-5-yl)phenyl]-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56893895
4-isoquinolin-4-yl-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70762148
N-methyl-2-phenyl-6-propan-2-yloxypyrimidin-4-amine
CID 112559886
4-[6-(propan-2-ylamino)pyridazin-3-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56896860
6-propan-2-yloxy-4-N-(1-pyridin-4-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 50956940

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of 4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 56899228) is 4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for 4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for 4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine is CNc1cc(-c2cc(OC(C)C)nc(N)n2)c2cc[nH]c2n1.
What is the InChIKey of 4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is WSPFROOGTMGPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O/c1-8(2)22-13-7-11(19-15(16)21-13)10-6-12(17-3)20-14-9(10)4-5-18-14/h4-8H,1-3H3,(H2,16,19,21)(H2,17,18,20).
What are the key properties of 4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine?
4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 298.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 56899228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).