2-[[4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid

C17H18N6O2 — CID 56908458

IUPAC2-[[4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid
SMILESCNc1nc(-c2cc(NCC(=O)O)nc3[nH]ccc23)nc2c1CCC2
InChIInChI=1S/C17H18N6O2/c1-18-15-10-3-2-4-12(10)21-17(23-15)11-7-13(20-8-14(24)25)22-16-9(11)5-6-19-16/h5-7H,2-4,8H2,1H3,(H,24,25)(H,18,21,23)(H2,19,20,22)
InChIKeyXSDKWUATTNSWET-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.05
Rot. Bonds5

About 2-[[4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid

2-[[4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid (PubChem CID 56908458) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-[[4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid
PubChem CID56908458
Molecular FormulaC17H18N6O2
Molecular Weight338.37 g/mol
Exact Mass338.15
IUPAC Name2-[[4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid
SMILESCNc1nc(-c2cc(NCC(=O)O)nc3[nH]ccc23)nc2c1CCC2
InChIInChI=1S/C17H18N6O2/c1-18-15-10-3-2-4-12(10)21-17(23-15)11-7-13(20-8-14(24)25)22-16-9(11)5-6-19-16/h5-7H,2-4,8H2,1H3,(H,24,25)(H,18,21,23)(H2,19,20,22)
InChIKeyXSDKWUATTNSWET-UHFFFAOYSA-N
XLogP2.05
TPSA115.82 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

N-methyl-4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56911434
4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-N-(pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 70756319
2-[[4-(2-amino-6-methylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid
CID 70772763
2-(2,5-dimethylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62203821
2-(2-ethylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62391586
2-(4-bromo-2-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 103083752
2-(2-methoxy-4-methylphenyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 106793023
2-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-ylamino)acetic acid
CID 83830034
2-(2,5-dimethylphenyl)-N-ethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62203197
N-methyl-2-pyrimidin-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 63351423
2-[(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)amino]acetic acid
CID 82192802
2-(4-chlorophenyl)-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62192291

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid?
The IUPAC name of 2-[[4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid (CID 56908458) is 2-[[4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid?
The canonical SMILES for 2-[[4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid is CNc1nc(-c2cc(NCC(=O)O)nc3[nH]ccc23)nc2c1CCC2.
What is the InChIKey of 2-[[4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid?
The InChIKey is XSDKWUATTNSWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-18-15-10-3-2-4-12(10)21-17(23-15)11-7-13(20-8-14(24)25)22-16-9(11)5-6-19-16/h5-7H,2-4,8H2,1H3,(H,24,25)(H,18,21,23)(H2,19,20,22).
What are the key properties of 2-[[4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid?
2-[[4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid has a molecular weight of 338.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]amino]acetic acid is sourced from PubChem (CID 56908458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).