8-fluoro-N-(oxolan-2-ylmethyl)-5H-pyrimido[5,4-b]indol-4-amine

C15H15FN4O — CID 3553984

IUPAC8-fluoro-N-(oxolan-2-ylmethyl)-5H-pyrimido[5,4-b]indol-4-amine
SMILESFc1ccc2[nH]c3c(NCC4CCCO4)ncnc3c2c1
InChIInChI=1S/C15H15FN4O/c16-9-3-4-12-11(6-9)13-14(20-12)15(19-8-18-13)17-7-10-2-1-5-21-10/h3-4,6,8,10,20H,1-2,5,7H2,(H,17,18,19)
InChIKeyUSXCPPWXTUTTLR-UHFFFAOYSA-N
MW286.31 g/mol
LogP2.84
Rot. Bonds3

About 8-fluoro-N-(oxolan-2-ylmethyl)-5H-pyrimido[5,4-b]indol-4-amine

8-fluoro-N-(oxolan-2-ylmethyl)-5H-pyrimido[5,4-b]indol-4-amine (PubChem CID 3553984) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is 8-fluoro-N-(oxolan-2-ylmethyl)-5H-pyrimido[5,4-b]indol-4-amine.

Molecular Properties

Compound Name8-fluoro-N-(oxolan-2-ylmethyl)-5H-pyrimido[5,4-b]indol-4-amine
PubChem CID3553984
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name8-fluoro-N-(oxolan-2-ylmethyl)-5H-pyrimido[5,4-b]indol-4-amine
SMILESFc1ccc2[nH]c3c(NCC4CCCO4)ncnc3c2c1
InChIInChI=1S/C15H15FN4O/c16-9-3-4-12-11(6-9)13-14(20-12)15(19-8-18-13)17-7-10-2-1-5-21-10/h3-4,6,8,10,20H,1-2,5,7H2,(H,17,18,19)
InChIKeyUSXCPPWXTUTTLR-UHFFFAOYSA-N
XLogP2.84
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(8-fluoro-5H-pyrimido[5,4-b]indol-4-yl)amino]ethanol
CID 2005544
7-fluoro-N-[[(2S)-oxolan-2-yl]methyl]isoquinolin-1-amine
CID 167795055
6-(4-fluorophenyl)-8-methoxy-N-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-amine
CID 155728566
3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20922530
6-fluoro-N-(oxolan-2-ylmethyl)pyrido[3,4-d]pyrimidin-4-amine
CID 59987540
5-(4-fluorophenyl)-N-[[(2S)-oxolan-2-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 9211901
N-[[(2R)-oxolan-2-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 2067836
4-N-(2,4-difluorophenyl)-5-nitro-6-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 23481630
6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,5,6-triamine
CID 22542939
1-(3-fluorophenyl)-3-methyl-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 110432015
N-[2-(3,4-dimethoxyphenyl)ethyl]-8-fluoro-5H-pyrimido[5,4-b]indol-4-amine
CID 2009604
N-(oxolan-2-ylmethyl)-11H-indolo[3,2-c]quinolin-6-amine
CID 90670027

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-(oxolan-2-ylmethyl)-5H-pyrimido[5,4-b]indol-4-amine?
The IUPAC name of 8-fluoro-N-(oxolan-2-ylmethyl)-5H-pyrimido[5,4-b]indol-4-amine (CID 3553984) is 8-fluoro-N-(oxolan-2-ylmethyl)-5H-pyrimido[5,4-b]indol-4-amine.
What is the SMILES notation for 8-fluoro-N-(oxolan-2-ylmethyl)-5H-pyrimido[5,4-b]indol-4-amine?
The canonical SMILES for 8-fluoro-N-(oxolan-2-ylmethyl)-5H-pyrimido[5,4-b]indol-4-amine is Fc1ccc2[nH]c3c(NCC4CCCO4)ncnc3c2c1.
What is the InChIKey of 8-fluoro-N-(oxolan-2-ylmethyl)-5H-pyrimido[5,4-b]indol-4-amine?
The InChIKey is USXCPPWXTUTTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c16-9-3-4-12-11(6-9)13-14(20-12)15(19-8-18-13)17-7-10-2-1-5-21-10/h3-4,6,8,10,20H,1-2,5,7H2,(H,17,18,19).
What are the key properties of 8-fluoro-N-(oxolan-2-ylmethyl)-5H-pyrimido[5,4-b]indol-4-amine?
8-fluoro-N-(oxolan-2-ylmethyl)-5H-pyrimido[5,4-b]indol-4-amine has a molecular weight of 286.31 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-(oxolan-2-ylmethyl)-5H-pyrimido[5,4-b]indol-4-amine is sourced from PubChem (CID 3553984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).