4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine

C18H16FN5S — CID 10150126

IUPAC4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
SMILESNc1nc2c(c(Nc3ccc(Sc4ccncc4)c(F)c3)n1)CCC2
InChIInChI=1S/C18H16FN5S/c19-14-10-11(4-5-16(14)25-12-6-8-21-9-7-12)22-17-13-2-1-3-15(13)23-18(20)24-17/h4-10H,1-3H2,(H3,20,22,23,24)
InChIKeyUUPPYERQOUYYHM-UHFFFAOYSA-N
MW353.43 g/mol
LogP3.98
Rot. Bonds4

About 4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine

4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine (PubChem CID 10150126) has the molecular formula C18H16FN5S and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
PubChem CID10150126
Molecular FormulaC18H16FN5S
Molecular Weight353.43 g/mol
Exact Mass353.11
IUPAC Name4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
SMILESNc1nc2c(c(Nc3ccc(Sc4ccncc4)c(F)c3)n1)CCC2
InChIInChI=1S/C18H16FN5S/c19-14-10-11(4-5-16(14)25-12-6-8-21-9-7-12)22-17-13-2-1-3-15(13)23-18(20)24-17/h4-10H,1-3H2,(H3,20,22,23,24)
InChIKeyUUPPYERQOUYYHM-UHFFFAOYSA-N
XLogP3.98
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine with MolForge

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Related Compounds

2-[(2Z)-2,3-dihydro-1,3-benzothiazol-2-ylidene]-2-(2-{[2-(pyridin-3-yl)ethyl]amino}pyrimidin-4-yl)acetonitrile
CID 11422035
N-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-6-amine
CID 2823823
N-benzyl-2-pyridin-3-ylthieno[3,2-d]pyrimidin-4-amine
CID 10687037
(2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]acetonitrile
CID 11157555
(2Z)-2-(3H-1,3-benzothiazol-2-ylidene)-2-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]acetonitrile
CID 11353763
N-[4-[2-(diethylamino)ethylsulfanyl]phenyl]-4-pyridin-4-ylpyrimidin-2-amine
CID 15653033
2-N-benzyl-4-N-(2-pyridin-4-ylethyl)thieno[3,2-d]pyrimidine-2,4-diamine
CID 49778125
N-methyl-N-(4-methylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 73294298
N4-[3-(dimethylamino)propyl]-N2-methyl-6-[6-(trifluoromethyl)-3-pyridyl]thieno[3,2-d]pyrimidine-2,4-diamine
CID 76328816
N-(3-fluorophenyl)-9-thia-3,5,11-triazatricyclo[8.4.0.02,7]tetradeca-1(10),2,4,6,11,13-hexaen-4-amine
CID 155522654
N-(4-methylsulfanylphenyl)-2-(4-pyridyl)quinazolin-4-amine
CID 90361140
4-Pyrimidineacetonitrile,a-2(3H)-benzothiazolylidene-2-[[2-(3-pyridinyl)ethyl]amino]-,(aZ)-
CID 6419762

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine (CID 10150126) is 4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine is Nc1nc2c(c(Nc3ccc(Sc4ccncc4)c(F)c3)n1)CCC2.
What is the InChIKey of 4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine?
The InChIKey is UUPPYERQOUYYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5S/c19-14-10-11(4-5-16(14)25-12-6-8-21-9-7-12)22-17-13-2-1-3-15(13)23-18(20)24-17/h4-10H,1-3H2,(H3,20,22,23,24).
What are the key properties of 4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine?
4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine has a molecular weight of 353.43 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine is sourced from PubChem (CID 10150126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).