N-methyl-N-nonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C16H26N4 — CID 150826942

IUPACN-methyl-N-nonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCCCCCCCCN(C)c1ncnc2[nH]ccc12
InChIInChI=1S/C16H26N4/c1-3-4-5-6-7-8-9-12-20(2)16-14-10-11-17-15(14)18-13-19-16/h10-11,13H,3-9,12H2,1-2H3,(H,17,18,19)
InChIKeyKLCVMXVLZMEWEB-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.14
Rot. Bonds9

About N-methyl-N-nonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-methyl-N-nonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 150826942) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is N-methyl-N-nonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-nonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID150826942
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC NameN-methyl-N-nonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCCCCCCCCN(C)c1ncnc2[nH]ccc12
InChIInChI=1S/C16H26N4/c1-3-4-5-6-7-8-9-12-20(2)16-14-10-11-17-15(14)18-13-19-16/h10-11,13H,3-9,12H2,1-2H3,(H,17,18,19)
InChIKeyKLCVMXVLZMEWEB-UHFFFAOYSA-N
XLogP4.14
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-nonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-nonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 150826942) is N-methyl-N-nonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-nonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-nonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CCCCCCCCCN(C)c1ncnc2[nH]ccc12.
What is the InChIKey of N-methyl-N-nonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is KLCVMXVLZMEWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-3-4-5-6-7-8-9-12-20(2)16-14-10-11-17-15(14)18-13-19-16/h10-11,13H,3-9,12H2,1-2H3,(H,17,18,19).
What are the key properties of N-methyl-N-nonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-methyl-N-nonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 274.41 g/mol, XLogP of 4.14, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-nonyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 150826942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).