N-methyl-4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine

C16H18N6 — CID 56911434

IUPACN-methyl-4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCNc1cc(-c2nc3c(c(NC)n2)CCC3)c2cc[nH]c2n1
InChIInChI=1S/C16H18N6/c1-17-13-8-11(9-6-7-19-15(9)21-13)16-20-12-5-3-4-10(12)14(18-2)22-16/h6-8H,3-5H2,1-2H3,(H2,17,19,21)(H,18,20,22)
InChIKeyPBHZEGAGLLEPNM-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.59
Rot. Bonds3

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

N-methyl-4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 56911434) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is N-methyl-4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound NameN-methyl-4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID56911434
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC NameN-methyl-4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCNc1cc(-c2nc3c(c(NC)n2)CCC3)c2cc[nH]c2n1
InChIInChI=1S/C16H18N6/c1-17-13-8-11(9-6-7-19-15(9)21-13)16-20-12-5-3-4-10(12)14(18-2)22-16/h6-8H,3-5H2,1-2H3,(H2,17,19,21)(H,18,20,22)
InChIKeyPBHZEGAGLLEPNM-UHFFFAOYSA-N
XLogP2.59
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of N-methyl-4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 56911434) is N-methyl-4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for N-methyl-4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for N-methyl-4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine is CNc1cc(-c2nc3c(c(NC)n2)CCC3)c2cc[nH]c2n1.
What is the InChIKey of N-methyl-4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is PBHZEGAGLLEPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6/c1-17-13-8-11(9-6-7-19-15(9)21-13)16-20-12-5-3-4-10(12)14(18-2)22-16/h6-8H,3-5H2,1-2H3,(H2,17,19,21)(H,18,20,22).
What are the key properties of N-methyl-4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine?
N-methyl-4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 294.36 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-(methylamino)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 56911434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).