N-[(1-ethylpyrrolidin-2-yl)methyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-amine

C18H23N5 — CID 5150023

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-amine
SMILESCCN1CCCC1CNc1ncnc2c1[nH]c1ccc(C)cc12
InChIInChI=1S/C18H23N5/c1-3-23-8-4-5-13(23)10-19-18-17-16(20-11-21-18)14-9-12(2)6-7-15(14)22-17/h6-7,9,11,13,22H,3-5,8,10H2,1-2H3,(H,19,20,21)
InChIKeyUOWSOTBHKOLRQG-UHFFFAOYSA-N
MW309.42 g/mol
LogP3.32
Rot. Bonds4

About N-[(1-ethylpyrrolidin-2-yl)methyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-amine

N-[(1-ethylpyrrolidin-2-yl)methyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-amine (PubChem CID 5150023) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-amine
PubChem CID5150023
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-amine
SMILESCCN1CCCC1CNc1ncnc2c1[nH]c1ccc(C)cc12
InChIInChI=1S/C18H23N5/c1-3-23-8-4-5-13(23)10-19-18-17-16(20-11-21-18)14-9-12(2)6-7-15(14)22-17/h6-7,9,11,13,22H,3-5,8,10H2,1-2H3,(H,19,20,21)
InChIKeyUOWSOTBHKOLRQG-UHFFFAOYSA-N
XLogP3.32
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-amine?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-amine (CID 5150023) is N-[(1-ethylpyrrolidin-2-yl)methyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-amine.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-amine?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-amine is CCN1CCCC1CNc1ncnc2c1[nH]c1ccc(C)cc12.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-amine?
The InChIKey is UOWSOTBHKOLRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5/c1-3-23-8-4-5-13(23)10-19-18-17-16(20-11-21-18)14-9-12(2)6-7-15(14)22-17/h6-7,9,11,13,22H,3-5,8,10H2,1-2H3,(H,19,20,21).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-amine?
N-[(1-ethylpyrrolidin-2-yl)methyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-amine has a molecular weight of 309.42 g/mol, XLogP of 3.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-amine is sourced from PubChem (CID 5150023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).