N-propyl-2-thiophen-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C14H17N3S — CID 62192826

IUPACN-propyl-2-thiophen-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCCNc1nc(-c2ccsc2)nc2c1CCC2
InChIInChI=1S/C14H17N3S/c1-2-7-15-14-11-4-3-5-12(11)16-13(17-14)10-6-8-18-9-10/h6,8-9H,2-5,7H2,1H3,(H,15,16,17)
InChIKeyDRWJTJWCWVMPCM-UHFFFAOYSA-N
MW259.38 g/mol
LogP3.52
Rot. Bonds4

About N-propyl-2-thiophen-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-propyl-2-thiophen-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 62192826) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is N-propyl-2-thiophen-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-propyl-2-thiophen-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID62192826
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC NameN-propyl-2-thiophen-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCCCNc1nc(-c2ccsc2)nc2c1CCC2
InChIInChI=1S/C14H17N3S/c1-2-7-15-14-11-4-3-5-12(11)16-13(17-14)10-6-8-18-9-10/h6,8-9H,2-5,7H2,1H3,(H,15,16,17)
InChIKeyDRWJTJWCWVMPCM-UHFFFAOYSA-N
XLogP3.52
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62191758
2-(4-ethylphenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63486449
N-propyl-2-pyrimidin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 55045480
5-bromo-N,6-dipropyl-2-thiophen-3-ylpyrimidin-4-amine
CID 66306562
2-(4-bromo-3-fluorophenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 81442117
2-(3-bromo-4-chlorophenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 115568197
2-(2-chlorophenyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63486615
N,N'-bis(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)propane-1,3-diamine
CID 166186696
2-(5-methyl-2-pyridinyl)-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 81311695
N',N'-dimethyl-N-(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)ethane-1,2-diamine
CID 53192920
2-propan-2-yl-N-propyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62191940
2-(3,4-dimethylphenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 63480001

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-thiophen-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-propyl-2-thiophen-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 62192826) is N-propyl-2-thiophen-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-propyl-2-thiophen-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-propyl-2-thiophen-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is CCCNc1nc(-c2ccsc2)nc2c1CCC2.
What is the InChIKey of N-propyl-2-thiophen-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is DRWJTJWCWVMPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-2-7-15-14-11-4-3-5-12(11)16-13(17-14)10-6-8-18-9-10/h6,8-9H,2-5,7H2,1H3,(H,15,16,17).
What are the key properties of N-propyl-2-thiophen-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-propyl-2-thiophen-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 259.38 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-thiophen-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 62192826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).