5-fluoro-2-N,4-N-bis(furan-2-ylmethyl)pyrimidine-2,4-diamine

C14H13FN4O2 — CID 22060499

IUPAC5-fluoro-2-N,4-N-bis(furan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESFc1cnc(NCc2ccco2)nc1NCc1ccco1
InChIInChI=1S/C14H13FN4O2/c15-12-9-18-14(17-8-11-4-2-6-21-11)19-13(12)16-7-10-3-1-5-20-10/h1-6,9H,7-8H2,(H2,16,17,18,19)
InChIKeyLSHZFZXJZMRFIS-UHFFFAOYSA-N
MW288.28 g/mol
LogP3.03
Rot. Bonds6

About 5-fluoro-2-N,4-N-bis(furan-2-ylmethyl)pyrimidine-2,4-diamine

5-fluoro-2-N,4-N-bis(furan-2-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 22060499) has the molecular formula C14H13FN4O2 and a molecular weight of 288.28 g/mol. Its IUPAC name is 5-fluoro-2-N,4-N-bis(furan-2-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-fluoro-2-N,4-N-bis(furan-2-ylmethyl)pyrimidine-2,4-diamine
PubChem CID22060499
Molecular FormulaC14H13FN4O2
Molecular Weight288.28 g/mol
Exact Mass288.10
IUPAC Name5-fluoro-2-N,4-N-bis(furan-2-ylmethyl)pyrimidine-2,4-diamine
SMILESFc1cnc(NCc2ccco2)nc1NCc1ccco1
InChIInChI=1S/C14H13FN4O2/c15-12-9-18-14(17-8-11-4-2-6-21-11)19-13(12)16-7-10-3-1-5-20-10/h1-6,9H,7-8H2,(H2,16,17,18,19)
InChIKeyLSHZFZXJZMRFIS-UHFFFAOYSA-N
XLogP3.03
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-furyl)-6-(1H-pyrazol-1-yl)pyrimidin-4-amine
CID 11424684
N-(2-furan-2-yl-6-pyrazol-1-yl-pyrimidin-4-yl)-acetamide
CID 11380183
N-(furan-2-ylmethyl)-9-methylpurin-6-amine
CID 221107
1-[2-(1H-imidazol-1-yl)-4-pyrimidinyl]-N-[(2-furanyl)methyl]-2-piperidineacetamide
CID 16115467
5-amino-2-(furan-2-yl)-N-methyl-[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxamide
CID 22002375
N-[(Furan-2-yl)methyl]pyridin-2-amine
CID 252569
N-(furan-2-ylmethyl)-N-methyl-2-pyridin-3-ylpyrimidin-4-amine
CID 3232663
2-(furan-3-yl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine
CID 3233202
N-(furan-2-ylmethyl)-N-methyl-5-pyridin-3-ylpyrimidin-4-amine
CID 3233699
2-(Furan-2-ylmethyl)-1-pyridin-2-ylguanidine;hydrochloride
CID 118730511
N-(furan-2-ylmethylcarbamoyl)-2-pyrimidin-2-ylsulfanylacetamide
CID 2592841
N-(furan-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 76848829

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-N,4-N-bis(furan-2-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-fluoro-2-N,4-N-bis(furan-2-ylmethyl)pyrimidine-2,4-diamine (CID 22060499) is 5-fluoro-2-N,4-N-bis(furan-2-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-fluoro-2-N,4-N-bis(furan-2-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-fluoro-2-N,4-N-bis(furan-2-ylmethyl)pyrimidine-2,4-diamine is Fc1cnc(NCc2ccco2)nc1NCc1ccco1.
What is the InChIKey of 5-fluoro-2-N,4-N-bis(furan-2-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is LSHZFZXJZMRFIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2/c15-12-9-18-14(17-8-11-4-2-6-21-11)19-13(12)16-7-10-3-1-5-20-10/h1-6,9H,7-8H2,(H2,16,17,18,19).
What are the key properties of 5-fluoro-2-N,4-N-bis(furan-2-ylmethyl)pyrimidine-2,4-diamine?
5-fluoro-2-N,4-N-bis(furan-2-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 288.28 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-N,4-N-bis(furan-2-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 22060499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).