N-[(5-fluoro-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C12H10FN5 — CID 171679362

IUPACN-[(5-fluoro-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESFc1cncc(CNc2ncnc3[nH]ccc23)c1
InChIInChI=1S/C12H10FN5/c13-9-3-8(4-14-6-9)5-16-12-10-1-2-15-11(10)17-7-18-12/h1-4,6-7H,5H2,(H2,15,16,17,18)
InChIKeyHYBWPLUMEHESAK-UHFFFAOYSA-N
MW243.25 g/mol
LogP2.10
Rot. Bonds3

About N-[(5-fluoro-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-[(5-fluoro-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 171679362) has the molecular formula C12H10FN5 and a molecular weight of 243.25 g/mol. Its IUPAC name is N-[(5-fluoro-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-fluoro-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID171679362
Molecular FormulaC12H10FN5
Molecular Weight243.25 g/mol
Exact Mass243.09
IUPAC NameN-[(5-fluoro-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESFc1cncc(CNc2ncnc3[nH]ccc23)c1
InChIInChI=1S/C12H10FN5/c13-9-3-8(4-14-6-9)5-16-12-10-1-2-15-11(10)17-7-18-12/h1-4,6-7H,5H2,(H2,15,16,17,18)
InChIKeyHYBWPLUMEHESAK-UHFFFAOYSA-N
XLogP2.10
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 154681081
N-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 76848839
4-(fluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 142574981
N',N'-dimethyl-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 76848852
N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175758651
4-[(3,5-difluorophenyl)methylamino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 67278684
4-fluoro-7H-pyrrolo[2,3-d]pyrimidine
CID 77134589
6-methyl-N-(pyridin-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430201
4-chloro-N-[(5-fluoro-3-pyridinyl)methyl]-3-methoxyaniline
CID 107268067
5-methyl-4-N,6-N-bis[(5-methyl-3-pyridinyl)methyl]pyrimidine-4,6-diamine
CID 126820929
5-bromo-4-N-[(4-fluorophenyl)methyl]pyrimidine-4,6-diamine
CID 114071935
N-[4-(aminomethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 174669328

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(5-fluoro-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 171679362) is N-[(5-fluoro-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(5-fluoro-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(5-fluoro-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Fc1cncc(CNc2ncnc3[nH]ccc23)c1.
What is the InChIKey of N-[(5-fluoro-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is HYBWPLUMEHESAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5/c13-9-3-8(4-14-6-9)5-16-12-10-1-2-15-11(10)17-7-18-12/h1-4,6-7H,5H2,(H2,15,16,17,18).
What are the key properties of N-[(5-fluoro-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[(5-fluoro-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 243.25 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-3-pyridinyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 171679362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).