2-amino-5-[(Z)-1-aminobut-2-en-2-yl]-6-(4-fluorophenyl)-1H-pyrimidine-4-thione

C14H15FN4S — CID 143513470

IUPAC2-amino-5-[(Z)-1-aminobut-2-en-2-yl]-6-(4-fluorophenyl)-1H-pyrimidine-4-thione
SMILESC/C=C(\CN)c1c(-c2ccc(F)cc2)[nH]c(N)nc1=S
InChIInChI=1S/C14H15FN4S/c1-2-8(7-16)11-12(18-14(17)19-13(11)20)9-3-5-10(15)6-4-9/h2-6H,7,16H2,1H3,(H3,17,18,19,20)/b8-2+
InChIKeyMJMGBLDPGWPRKR-KRXBUXKQSA-N
MW290.37 g/mol
LogP2.89
Rot. Bonds3

About 2-amino-5-[(Z)-1-aminobut-2-en-2-yl]-6-(4-fluorophenyl)-1H-pyrimidine-4-thione

2-amino-5-[(Z)-1-aminobut-2-en-2-yl]-6-(4-fluorophenyl)-1H-pyrimidine-4-thione (PubChem CID 143513470) has the molecular formula C14H15FN4S and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-amino-5-[(Z)-1-aminobut-2-en-2-yl]-6-(4-fluorophenyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-amino-5-[(Z)-1-aminobut-2-en-2-yl]-6-(4-fluorophenyl)-1H-pyrimidine-4-thione
PubChem CID143513470
Molecular FormulaC14H15FN4S
Molecular Weight290.37 g/mol
Exact Mass290.10
IUPAC Name2-amino-5-[(Z)-1-aminobut-2-en-2-yl]-6-(4-fluorophenyl)-1H-pyrimidine-4-thione
SMILESC/C=C(\CN)c1c(-c2ccc(F)cc2)[nH]c(N)nc1=S
InChIInChI=1S/C14H15FN4S/c1-2-8(7-16)11-12(18-14(17)19-13(11)20)9-3-5-10(15)6-4-9/h2-6H,7,16H2,1H3,(H3,17,18,19,20)/b8-2+
InChIKeyMJMGBLDPGWPRKR-KRXBUXKQSA-N
XLogP2.89
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-amino-3-[2-amino-6-(3,4-dichlorophenyl)-4-sulfanylidene-1H-pyrimidin-5-yl]prop-2-enal
CID 143513355
6-(4-fluorophenyl)-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxamide
CID 123970388
2-amino-4-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylic acid
CID 53430507
2-amino-4-(4-fluorophenyl)-1H-imidazole-5-carboxylic acid
CID 82472728
[4-(4-fluorophenyl)-5-methyl-1H-imidazol-2-yl]methanamine
CID 43649221
4-amino-6-(4-fluorophenyl)-5-iodo-1H-pyrimidin-2-one
CID 123287672
5-amino-4-(4-fluorophenyl)-3H-1,3-thiazole-2-thione
CID 28805699
ethyl 2-chloro-4-(4-fluorophenyl)-6-methylpyrimidine-5-carboxylate
CID 163743025
N-(4-aminobutan-2-yl)-3-[2,5-bis(4-fluorophenyl)-1H-pyrrol-3-yl]propanamide;formaldehyde
CID 169229900
(6-amino-2-ethyl-4-sulfanylidene-1H-pyrimidin-5-yl)-(2,6-difluorophenyl)methanone
CID 69012335
5-bromo-6-ethyl-2-(4-fluorophenyl)-1H-pyrimidine-4-thione
CID 106479842
2-[4,5-bis(4-fluorophenyl)-1H-imidazol-2-yl]-4,5-bis(4-fluorophenyl)-1H-imidazole
CID 68616974

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(Z)-1-aminobut-2-en-2-yl]-6-(4-fluorophenyl)-1H-pyrimidine-4-thione?
The IUPAC name of 2-amino-5-[(Z)-1-aminobut-2-en-2-yl]-6-(4-fluorophenyl)-1H-pyrimidine-4-thione (CID 143513470) is 2-amino-5-[(Z)-1-aminobut-2-en-2-yl]-6-(4-fluorophenyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-amino-5-[(Z)-1-aminobut-2-en-2-yl]-6-(4-fluorophenyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-amino-5-[(Z)-1-aminobut-2-en-2-yl]-6-(4-fluorophenyl)-1H-pyrimidine-4-thione is C/C=C(\CN)c1c(-c2ccc(F)cc2)[nH]c(N)nc1=S.
What is the InChIKey of 2-amino-5-[(Z)-1-aminobut-2-en-2-yl]-6-(4-fluorophenyl)-1H-pyrimidine-4-thione?
The InChIKey is MJMGBLDPGWPRKR-KRXBUXKQSA-N. The full InChI is InChI=1S/C14H15FN4S/c1-2-8(7-16)11-12(18-14(17)19-13(11)20)9-3-5-10(15)6-4-9/h2-6H,7,16H2,1H3,(H3,17,18,19,20)/b8-2+.
What are the key properties of 2-amino-5-[(Z)-1-aminobut-2-en-2-yl]-6-(4-fluorophenyl)-1H-pyrimidine-4-thione?
2-amino-5-[(Z)-1-aminobut-2-en-2-yl]-6-(4-fluorophenyl)-1H-pyrimidine-4-thione has a molecular weight of 290.37 g/mol, XLogP of 2.89, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(Z)-1-aminobut-2-en-2-yl]-6-(4-fluorophenyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 143513470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).