trans-(1S,2S)-2-N-(4-ethoxypyrimidin-2-yl)-1-N,1-N-dimethylcyclopentane-1,2-diamine

C13H22N4O — CID 146105827

IUPACtrans-(1S,2S)-2-N-(4-ethoxypyrimidin-2-yl)-1-N,1-N-dimethylcyclopentane-1,2-diamine
SMILESCCOc1ccnc(N[C@H]2CCC[C@@H]2N(C)C)n1
InChIInChI=1S/C13H22N4O/c1-4-18-12-8-9-14-13(16-12)15-10-6-5-7-11(10)17(2)3/h8-11H,4-7H2,1-3H3,(H,14,15,16)/t10-,11-/m0/s1
InChIKeyUHQBLSADFIVHSV-QWRGUYRKSA-N
MW250.35 g/mol
LogP1.77
Rot. Bonds5

About trans-(1S,2S)-2-N-(4-ethoxypyrimidin-2-yl)-1-N,1-N-dimethylcyclopentane-1,2-diamine

trans-(1S,2S)-2-N-(4-ethoxypyrimidin-2-yl)-1-N,1-N-dimethylcyclopentane-1,2-diamine (PubChem CID 146105827) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is trans-(1S,2S)-2-N-(4-ethoxypyrimidin-2-yl)-1-N,1-N-dimethylcyclopentane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1S,2S)-2-N-(4-ethoxypyrimidin-2-yl)-1-N,1-N-dimethylcyclopentane-1,2-diamine
PubChem CID146105827
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Nametrans-(1S,2S)-2-N-(4-ethoxypyrimidin-2-yl)-1-N,1-N-dimethylcyclopentane-1,2-diamine
SMILESCCOc1ccnc(N[C@H]2CCC[C@@H]2N(C)C)n1
InChIInChI=1S/C13H22N4O/c1-4-18-12-8-9-14-13(16-12)15-10-6-5-7-11(10)17(2)3/h8-11H,4-7H2,1-3H3,(H,14,15,16)/t10-,11-/m0/s1
InChIKeyUHQBLSADFIVHSV-QWRGUYRKSA-N
XLogP1.77
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze trans-(1S,2S)-2-N-(4-ethoxypyrimidin-2-yl)-1-N,1-N-dimethylcyclopentane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethoxy-N-(2-methoxycyclopentyl)pyrimidin-2-amine
CID 112637423
N-cycloheptyl-4-ethoxypyrimidin-2-amine
CID 112636626
N-cyclopropyl-4-ethoxypyrimidin-2-amine
CID 94830398
2-[(4-ethoxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 112636132
4-ethoxy-N-(3-ethylcyclohexyl)pyrimidin-2-amine
CID 112637934
N-(2-ethylcyclohexyl)-4-methoxypyrimidin-2-amine
CID 112684653
N-(4-chlorocyclohexyl)-4-ethoxypyrimidin-2-amine
CID 112639257
N-[(2-aminocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine
CID 112639496
N-(azetidin-3-yl)-4-ethoxypyrimidin-2-amine
CID 112638736
N-[(2-chlorocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine
CID 112639314
2-[2-[(4-methoxypyrimidin-2-yl)amino]cyclopentyl]ethanol
CID 133496350
1-N-(4-methoxypyrimidin-2-yl)cyclopentane-1,2-diamine
CID 63252268

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-N-(4-ethoxypyrimidin-2-yl)-1-N,1-N-dimethylcyclopentane-1,2-diamine?
The IUPAC name of trans-(1S,2S)-2-N-(4-ethoxypyrimidin-2-yl)-1-N,1-N-dimethylcyclopentane-1,2-diamine (CID 146105827) is trans-(1S,2S)-2-N-(4-ethoxypyrimidin-2-yl)-1-N,1-N-dimethylcyclopentane-1,2-diamine.
What is the SMILES notation for trans-(1S,2S)-2-N-(4-ethoxypyrimidin-2-yl)-1-N,1-N-dimethylcyclopentane-1,2-diamine?
The canonical SMILES for trans-(1S,2S)-2-N-(4-ethoxypyrimidin-2-yl)-1-N,1-N-dimethylcyclopentane-1,2-diamine is CCOc1ccnc(N[C@H]2CCC[C@@H]2N(C)C)n1.
What is the InChIKey of trans-(1S,2S)-2-N-(4-ethoxypyrimidin-2-yl)-1-N,1-N-dimethylcyclopentane-1,2-diamine?
The InChIKey is UHQBLSADFIVHSV-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-18-12-8-9-14-13(16-12)15-10-6-5-7-11(10)17(2)3/h8-11H,4-7H2,1-3H3,(H,14,15,16)/t10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-N-(4-ethoxypyrimidin-2-yl)-1-N,1-N-dimethylcyclopentane-1,2-diamine?
trans-(1S,2S)-2-N-(4-ethoxypyrimidin-2-yl)-1-N,1-N-dimethylcyclopentane-1,2-diamine has a molecular weight of 250.35 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-N-(4-ethoxypyrimidin-2-yl)-1-N,1-N-dimethylcyclopentane-1,2-diamine is sourced from PubChem (CID 146105827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).