N-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

C13H15N3S — CID 78925626

IUPACN-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1ccsc1CNc1ncnc2c1CCC2
InChIInChI=1S/C13H15N3S/c1-9-5-6-17-12(9)7-14-13-10-3-2-4-11(10)15-8-16-13/h5-6,8H,2-4,7H2,1H3,(H,14,15,16)
InChIKeyKJLKZVKJVNNHRK-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.95
Rot. Bonds3

About N-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine

N-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 78925626) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is N-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID78925626
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC NameN-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1ccsc1CNc1ncnc2c1CCC2
InChIInChI=1S/C13H15N3S/c1-9-5-6-17-12(9)7-14-13-10-3-2-4-11(10)15-8-16-13/h5-6,8H,2-4,7H2,1H3,(H,14,15,16)
InChIKeyKJLKZVKJVNNHRK-UHFFFAOYSA-N
XLogP2.95
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62833504
N-[(6-methyl-3-pyridinyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 55142080
N-[(3-methyl-2-pyridinyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63306311
N-[(2-ethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 64693026
N-[(3-methyl-4-pyridinyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 114700770
N-[(1-methylpyrazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 82873144
N-[2-(1,3-thiazol-2-yl)propan-2-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 114131288
N-(1,2-oxazol-5-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 106419145
4-[(5,6,7,8-tetrahydroquinazolin-4-ylamino)methyl]-3H-1,3-thiazol-2-one
CID 114181611
1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-methylpropan-2-ol
CID 63777387
N-[(1-ethylcyclopropyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 103736761
N-(1H-1,2,4-triazol-5-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62831686

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 78925626) is N-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Cc1ccsc1CNc1ncnc2c1CCC2.
What is the InChIKey of N-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is KJLKZVKJVNNHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-9-5-6-17-12(9)7-14-13-10-3-2-4-11(10)15-8-16-13/h5-6,8H,2-4,7H2,1H3,(H,14,15,16).
What are the key properties of N-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 245.35 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 78925626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).