N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-hydroxysulfanylcyclopenta-1,3-dien-1-yl)pyrimidin-4-amine

C15H14FN5OS — CID 90381573

IUPACN-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-hydroxysulfanylcyclopenta-1,3-dien-1-yl)pyrimidin-4-amine
SMILESOSC1=CC=C(c2ncc(F)c(Nc3cc(C4CC4)[nH]n3)n2)C1
InChIInChI=1S/C15H14FN5OS/c16-11-7-17-14(9-3-4-10(5-9)23-22)19-15(11)18-13-6-12(20-21-13)8-1-2-8/h3-4,6-8,22H,1-2,5H2,(H2,17,18,19,20,21)
InChIKeyURJNGFOYVBVQKN-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.84
Rot. Bonds5

About N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-hydroxysulfanylcyclopenta-1,3-dien-1-yl)pyrimidin-4-amine

N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-hydroxysulfanylcyclopenta-1,3-dien-1-yl)pyrimidin-4-amine (PubChem CID 90381573) has the molecular formula C15H14FN5OS and a molecular weight of 331.38 g/mol. Its IUPAC name is N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-hydroxysulfanylcyclopenta-1,3-dien-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-hydroxysulfanylcyclopenta-1,3-dien-1-yl)pyrimidin-4-amine
PubChem CID90381573
Molecular FormulaC15H14FN5OS
Molecular Weight331.38 g/mol
Exact Mass331.09
IUPAC NameN-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-hydroxysulfanylcyclopenta-1,3-dien-1-yl)pyrimidin-4-amine
SMILESOSC1=CC=C(c2ncc(F)c(Nc3cc(C4CC4)[nH]n3)n2)C1
InChIInChI=1S/C15H14FN5OS/c16-11-7-17-14(9-3-4-10(5-9)23-22)19-15(11)18-13-6-12(20-21-13)8-1-2-8/h3-4,6-8,22H,1-2,5H2,(H2,17,18,19,20,21)
InChIKeyURJNGFOYVBVQKN-UHFFFAOYSA-N
XLogP3.84
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-fluoropyridine-3-carbonitrile
CID 141152908
N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-2-(1,2,3,6-tetrahydropyridin-4-yl)pyrimidin-4-amine
CID 163915916
CID 88969890
CID 88969890
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-N-(1H-pyrrolo[3,2-b]pyridin-5-ylmethyl)pyrimidine-2,4-diamine
CID 123994546
6-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
CID 134816680
5-(1-chloroethenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine
CID 50943216
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-N-[1-(1H-pyrrolo[3,2-b]pyridin-5-yl)ethyl]pyrimidine-2,4-diamine
CID 123182853
2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-fluoro-6-N-[(4-fluorophenyl)methyl]-5-nitropyridine-2,6-diamine
CID 90711232
5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)pyrimidin-4-amine
CID 58169387
5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-methylthiophen-2-yl)pyrimidin-4-amine
CID 90383982
5-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(5-ethanimidoylthiophen-2-yl)pyrimidin-4-amine
CID 90381576
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 141159470

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-hydroxysulfanylcyclopenta-1,3-dien-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-hydroxysulfanylcyclopenta-1,3-dien-1-yl)pyrimidin-4-amine (CID 90381573) is N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-hydroxysulfanylcyclopenta-1,3-dien-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-hydroxysulfanylcyclopenta-1,3-dien-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-hydroxysulfanylcyclopenta-1,3-dien-1-yl)pyrimidin-4-amine is OSC1=CC=C(c2ncc(F)c(Nc3cc(C4CC4)[nH]n3)n2)C1.
What is the InChIKey of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-hydroxysulfanylcyclopenta-1,3-dien-1-yl)pyrimidin-4-amine?
The InChIKey is URJNGFOYVBVQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN5OS/c16-11-7-17-14(9-3-4-10(5-9)23-22)19-15(11)18-13-6-12(20-21-13)8-1-2-8/h3-4,6-8,22H,1-2,5H2,(H2,17,18,19,20,21).
What are the key properties of N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-hydroxysulfanylcyclopenta-1,3-dien-1-yl)pyrimidin-4-amine?
N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-hydroxysulfanylcyclopenta-1,3-dien-1-yl)pyrimidin-4-amine has a molecular weight of 331.38 g/mol, XLogP of 3.84, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1H-pyrazol-3-yl)-5-fluoro-2-(4-hydroxysulfanylcyclopenta-1,3-dien-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 90381573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).