1-chloro-3-fluorobenzene;4-(1-methoxycyclopropyl)-N-methylsulfanyl-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine

About 1-chloro-3-fluorobenzene;4-(1-methoxycyclopropyl)-N-methylsulfanyl-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine

1-chloro-3-fluorobenzene;4-(1-methoxycyclopropyl)-N-methylsulfanyl-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine (PubChem CID 144966217) has the molecular formula C21H24ClFN4OS2 and a molecular weight of 467.04 g/mol. Its IUPAC name is 1-chloro-3-fluorobenzene;4-(1-methoxycyclopropyl)-N-methylsulfanyl-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine.

Molecular Properties

Compound Name	1-chloro-3-fluorobenzene;4-(1-methoxycyclopropyl)-N-methylsulfanyl-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine
PubChem CID	144966217
Molecular Formula	C21H24ClFN4OS2
Molecular Weight	467.04 g/mol
Exact Mass	466.11
IUPAC Name	1-chloro-3-fluorobenzene;4-(1-methoxycyclopropyl)-N-methylsulfanyl-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine
SMILES	COC1(C2=C3CC(NSC)CN3C(c3nccs3)=NC2)CC1.Fc1cccc(Cl)c1
InChI	InChI=1S/C15H20N4OS2.C6H4ClF/c1-20-15(3-4-15)11-8-17-13(14-16-5-6-22-14)19-9-10(18-21-2)7-12(11)19;7-5-2-1-3-6(8)4-5/h5-6,10,18H,3-4,7-9H2,1-2H3;1-4H
InChIKey	YDSAIDFLKGWVMU-UHFFFAOYSA-N
XLogP	4.76
TPSA	49.75 Å²
H-Bond Donors	1
H-Bond Acceptors	7
Rotatable Bonds	5
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.04
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-fluorobenzene;4-(1-methoxycyclopropyl)-N-methylsulfanyl-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine?

The IUPAC name of 1-chloro-3-fluorobenzene;4-(1-methoxycyclopropyl)-N-methylsulfanyl-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine (CID 144966217) is 1-chloro-3-fluorobenzene;4-(1-methoxycyclopropyl)-N-methylsulfanyl-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine.

What is the SMILES notation for 1-chloro-3-fluorobenzene;4-(1-methoxycyclopropyl)-N-methylsulfanyl-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine?

The canonical SMILES for 1-chloro-3-fluorobenzene;4-(1-methoxycyclopropyl)-N-methylsulfanyl-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine is COC1(C2=C3CC(NSC)CN3C(c3nccs3)=NC2)CC1.Fc1cccc(Cl)c1.

What is the InChIKey of 1-chloro-3-fluorobenzene;4-(1-methoxycyclopropyl)-N-methylsulfanyl-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine?

The InChIKey is YDSAIDFLKGWVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS2.C6H4ClF/c1-20-15(3-4-15)11-8-17-13(14-16-5-6-22-14)19-9-10(18-21-2)7-12(11)19;7-5-2-1-3-6(8)4-5/h5-6,10,18H,3-4,7-9H2,1-2H3;1-4H.

What are the key properties of 1-chloro-3-fluorobenzene;4-(1-methoxycyclopropyl)-N-methylsulfanyl-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine?

1-chloro-3-fluorobenzene;4-(1-methoxycyclopropyl)-N-methylsulfanyl-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine has a molecular weight of 467.04 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-chloro-3-fluorobenzene;4-(1-methoxycyclopropyl)-N-methylsulfanyl-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidin-6-amine is sourced from PubChem (CID 144966217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).