4-methyl-6-[4-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperazin-1-yl]pyrimidin-2-amine

C16H19N7 — CID 56914697

IUPAC4-methyl-6-[4-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperazin-1-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCN(c3ccc4cc[nH]c4n3)CC2)nc(N)n1
InChIInChI=1S/C16H19N7/c1-11-10-14(21-16(17)19-11)23-8-6-22(7-9-23)13-3-2-12-4-5-18-15(12)20-13/h2-5,10H,6-9H2,1H3,(H,18,20)(H2,17,19,21)
InChIKeyLRXHVZWPEIVBCY-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.57
Rot. Bonds2

About 4-methyl-6-[4-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperazin-1-yl]pyrimidin-2-amine

4-methyl-6-[4-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperazin-1-yl]pyrimidin-2-amine (PubChem CID 56914697) has the molecular formula C16H19N7 and a molecular weight of 309.38 g/mol. Its IUPAC name is 4-methyl-6-[4-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[4-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperazin-1-yl]pyrimidin-2-amine
PubChem CID56914697
Molecular FormulaC16H19N7
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name4-methyl-6-[4-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperazin-1-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCN(c3ccc4cc[nH]c4n3)CC2)nc(N)n1
InChIInChI=1S/C16H19N7/c1-11-10-14(21-16(17)19-11)23-8-6-22(7-9-23)13-3-2-12-4-5-18-15(12)20-13/h2-5,10H,6-9H2,1H3,(H,18,20)(H2,17,19,21)
InChIKeyLRXHVZWPEIVBCY-UHFFFAOYSA-N
XLogP1.57
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[4-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-[4-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperazin-1-yl]pyrimidin-2-amine (CID 56914697) is 4-methyl-6-[4-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-[4-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-[4-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperazin-1-yl]pyrimidin-2-amine is Cc1cc(N2CCN(c3ccc4cc[nH]c4n3)CC2)nc(N)n1.
What is the InChIKey of 4-methyl-6-[4-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is LRXHVZWPEIVBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7/c1-11-10-14(21-16(17)19-11)23-8-6-22(7-9-23)13-3-2-12-4-5-18-15(12)20-13/h2-5,10H,6-9H2,1H3,(H,18,20)(H2,17,19,21).
What are the key properties of 4-methyl-6-[4-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperazin-1-yl]pyrimidin-2-amine?
4-methyl-6-[4-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 309.38 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[4-(1H-pyrrolo[2,3-b]pyridin-6-yl)piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 56914697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).