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

C15H17N3 — CID 62833504

IUPACN-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1ccccc1CNc1ncnc2c1CCC2
InChIInChI=1S/C15H17N3/c1-11-5-2-3-6-12(11)9-16-15-13-7-4-8-14(13)17-10-18-15/h2-3,5-6,10H,4,7-9H2,1H3,(H,16,17,18)
InChIKeyOOTCQLYJGLBTRS-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.89
Rot. Bonds3

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

N-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (PubChem CID 62833504) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
PubChem CID62833504
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC NameN-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
SMILESCc1ccccc1CNc1ncnc2c1CCC2
InChIInChI=1S/C15H17N3/c1-11-5-2-3-6-12(11)9-16-15-13-7-4-8-14(13)17-10-18-15/h2-3,5-6,10H,4,7-9H2,1H3,(H,16,17,18)
InChIKeyOOTCQLYJGLBTRS-UHFFFAOYSA-N
XLogP2.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-[(3-methyl-2-pyridinyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63306311
N-[(3-ethyl-2-pyridinyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 82740111
N-[(6-methyl-3-pyridinyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 55142080
N-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 78925626
N-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63184758
N-[(1-methylpyrazol-3-yl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 82873144
5-bromo-6-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 114072011
N-[2-(aminomethyl)phenyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63765895
N-(pyridazin-3-ylmethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 106832629
N-(3-phenylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 55121312

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The IUPAC name of N-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine (CID 62833504) is N-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The canonical SMILES for N-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is Cc1ccccc1CNc1ncnc2c1CCC2.
What is the InChIKey of N-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
The InChIKey is OOTCQLYJGLBTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-11-5-2-3-6-12(11)9-16-15-13-7-4-8-14(13)17-10-18-15/h2-3,5-6,10H,4,7-9H2,1H3,(H,16,17,18).
What are the key properties of N-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine?
N-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine has a molecular weight of 239.32 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine is sourced from PubChem (CID 62833504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).