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

C14H16N4 — CID 63306311

IUPACN-[(3-methyl-2-pyridinyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1cccnc1CNc1ncnc2c1CCC2
InChIInChI=1S/C14H16N4/c1-10-4-3-7-15-13(10)8-16-14-11-5-2-6-12(11)17-9-18-14/h3-4,7,9H,2,5-6,8H2,1H3,(H,16,17,18)
InChIKeyJBAVVYGVRAKZJE-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.28
Rot. Bonds3

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

N-[(3-methyl-2-pyridinyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 63306311) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is N-[(3-methyl-2-pyridinyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-methyl-2-pyridinyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID63306311
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC NameN-[(3-methyl-2-pyridinyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1cccnc1CNc1ncnc2c1CCC2
InChIInChI=1S/C14H16N4/c1-10-4-3-7-15-13(10)8-16-14-11-5-2-6-12(11)17-9-18-14/h3-4,7,9H,2,5-6,8H2,1H3,(H,16,17,18)
InChIKeyJBAVVYGVRAKZJE-UHFFFAOYSA-N
XLogP2.28
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethyl-2-pyridinyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 82740111
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-(pyridazin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 106832629
N-[(2-ethylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 64693026
1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)-2-methylpropan-2-ol
CID 63777387
N-[(3-methyl-4-pyridinyl)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 114700770
N-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 78925626
4-N-[(3-methyl-2-pyridinyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80830321
N-(1,2-oxazol-5-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 106419145
5-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyrimidin-4-amine
CID 105369414
N-[(1-methylpyrazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 82873144

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-[(3-methyl-2-pyridinyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 63306311) is N-[(3-methyl-2-pyridinyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-[(3-methyl-2-pyridinyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-[(3-methyl-2-pyridinyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Cc1cccnc1CNc1ncnc2c1CCC2.
What is the InChIKey of N-[(3-methyl-2-pyridinyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is JBAVVYGVRAKZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-10-4-3-7-15-13(10)8-16-14-11-5-2-6-12(11)17-9-18-14/h3-4,7,9H,2,5-6,8H2,1H3,(H,16,17,18).
What are the key properties of N-[(3-methyl-2-pyridinyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-[(3-methyl-2-pyridinyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 240.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-pyridinyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 63306311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).