N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-6-ethyl-5-fluoropyrimidin-4-amine

C12H15FN6 — CID 133434370

IUPACN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NCc2nnc3n2CCC3)c1F
InChIInChI=1S/C12H15FN6/c1-2-8-11(13)12(16-7-15-8)14-6-10-18-17-9-4-3-5-19(9)10/h7H,2-6H2,1H3,(H,14,15,16)
InChIKeyBOVBUFPFAWYNJM-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.33
Rot. Bonds4

About N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-6-ethyl-5-fluoropyrimidin-4-amine

N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-6-ethyl-5-fluoropyrimidin-4-amine (PubChem CID 133434370) has the molecular formula C12H15FN6 and a molecular weight of 262.29 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-6-ethyl-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-6-ethyl-5-fluoropyrimidin-4-amine
PubChem CID133434370
Molecular FormulaC12H15FN6
Molecular Weight262.29 g/mol
Exact Mass262.13
IUPAC NameN-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NCc2nnc3n2CCC3)c1F
InChIInChI=1S/C12H15FN6/c1-2-8-11(13)12(16-7-15-8)14-6-10-18-17-9-4-3-5-19(9)10/h7H,2-6H2,1H3,(H,14,15,16)
InChIKeyBOVBUFPFAWYNJM-UHFFFAOYSA-N
XLogP1.33
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)quinazolin-4-amine
CID 24607035
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 131900530
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-3-amine
CID 17472916
N-[[2-(aminomethyl)cyclopentyl]methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 114045871
6-ethyl-5-fluoro-N-(5,6,7,8-tetrahydroquinolin-2-ylmethyl)pyrimidin-4-amine
CID 167757648
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4-methylaniline
CID 54920883
6-ethyl-5-fluoro-N-(2-pyrrolidin-1-ylpropyl)pyrimidin-4-amine
CID 103879827
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)aniline
CID 60722553
6-ethyl-5-fluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 103883732
4-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)pyrido[2,3-d]pyrimidine-4,7-diamine
CID 133407819
5-methyl-2-N,4-N-bis(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)pyrimidine-2,4-diamine
CID 133382843
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-4,5,6-trimethylpyrimidin-2-amine
CID 162628903

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-6-ethyl-5-fluoropyrimidin-4-amine?
The IUPAC name of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-6-ethyl-5-fluoropyrimidin-4-amine (CID 133434370) is N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-6-ethyl-5-fluoropyrimidin-4-amine.
What is the SMILES notation for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-6-ethyl-5-fluoropyrimidin-4-amine?
The canonical SMILES for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-6-ethyl-5-fluoropyrimidin-4-amine is CCc1ncnc(NCc2nnc3n2CCC3)c1F.
What is the InChIKey of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-6-ethyl-5-fluoropyrimidin-4-amine?
The InChIKey is BOVBUFPFAWYNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN6/c1-2-8-11(13)12(16-7-15-8)14-6-10-18-17-9-4-3-5-19(9)10/h7H,2-6H2,1H3,(H,14,15,16).
What are the key properties of N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-6-ethyl-5-fluoropyrimidin-4-amine?
N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-6-ethyl-5-fluoropyrimidin-4-amine has a molecular weight of 262.29 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethyl)-6-ethyl-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 133434370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).