6-(3-aminopropyl)-N-(cyclopenta-1,3-dien-1-ylmethyl)-5-fluoro-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C16H20FN5 — CID 154681135

IUPAC6-(3-aminopropyl)-N-(cyclopenta-1,3-dien-1-ylmethyl)-5-fluoro-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCC2=CC=CC2)c2c(F)c(CCCN)[nH]c2n1
InChIInChI=1S/C16H20FN5/c1-10-20-15(19-9-11-5-2-3-6-11)13-14(17)12(7-4-8-18)22-16(13)21-10/h2-3,5H,4,6-9,18H2,1H3,(H2,19,20,21,22)
InChIKeyGSYOBFLXQLRYSA-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.59
Rot. Bonds6

About 6-(3-aminopropyl)-N-(cyclopenta-1,3-dien-1-ylmethyl)-5-fluoro-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

6-(3-aminopropyl)-N-(cyclopenta-1,3-dien-1-ylmethyl)-5-fluoro-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 154681135) has the molecular formula C16H20FN5 and a molecular weight of 301.37 g/mol. Its IUPAC name is 6-(3-aminopropyl)-N-(cyclopenta-1,3-dien-1-ylmethyl)-5-fluoro-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-aminopropyl)-N-(cyclopenta-1,3-dien-1-ylmethyl)-5-fluoro-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID154681135
Molecular FormulaC16H20FN5
Molecular Weight301.37 g/mol
Exact Mass301.17
IUPAC Name6-(3-aminopropyl)-N-(cyclopenta-1,3-dien-1-ylmethyl)-5-fluoro-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1nc(NCC2=CC=CC2)c2c(F)c(CCCN)[nH]c2n1
InChIInChI=1S/C16H20FN5/c1-10-20-15(19-9-11-5-2-3-6-11)13-14(17)12(7-4-8-18)22-16(13)21-10/h2-3,5H,4,6-9,18H2,1H3,(H2,19,20,21,22)
InChIKeyGSYOBFLXQLRYSA-UHFFFAOYSA-N
XLogP2.59
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopropyl)-N-(cyclopenta-1,3-dien-1-ylmethyl)-5-fluoro-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(3-aminopropyl)-N-(cyclopenta-1,3-dien-1-ylmethyl)-5-fluoro-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 154681135) is 6-(3-aminopropyl)-N-(cyclopenta-1,3-dien-1-ylmethyl)-5-fluoro-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(3-aminopropyl)-N-(cyclopenta-1,3-dien-1-ylmethyl)-5-fluoro-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(3-aminopropyl)-N-(cyclopenta-1,3-dien-1-ylmethyl)-5-fluoro-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1nc(NCC2=CC=CC2)c2c(F)c(CCCN)[nH]c2n1.
What is the InChIKey of 6-(3-aminopropyl)-N-(cyclopenta-1,3-dien-1-ylmethyl)-5-fluoro-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is GSYOBFLXQLRYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5/c1-10-20-15(19-9-11-5-2-3-6-11)13-14(17)12(7-4-8-18)22-16(13)21-10/h2-3,5H,4,6-9,18H2,1H3,(H2,19,20,21,22).
What are the key properties of 6-(3-aminopropyl)-N-(cyclopenta-1,3-dien-1-ylmethyl)-5-fluoro-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
6-(3-aminopropyl)-N-(cyclopenta-1,3-dien-1-ylmethyl)-5-fluoro-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 301.37 g/mol, XLogP of 2.59, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopropyl)-N-(cyclopenta-1,3-dien-1-ylmethyl)-5-fluoro-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 154681135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).