N'-cyclobutyl-N'-(pyrimidin-2-ylmethyl)ethane-1,2-diamine

C11H18N4 — CID 102875201

IUPACN'-cyclobutyl-N'-(pyrimidin-2-ylmethyl)ethane-1,2-diamine
SMILESNCCN(Cc1ncccn1)C1CCC1
InChIInChI=1S/C11H18N4/c12-5-8-15(10-3-1-4-10)9-11-13-6-2-7-14-11/h2,6-7,10H,1,3-5,8-9,12H2
InChIKeyQFSKNDGSYFIWGF-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.79
Rot. Bonds5

About N'-cyclobutyl-N'-(pyrimidin-2-ylmethyl)ethane-1,2-diamine

N'-cyclobutyl-N'-(pyrimidin-2-ylmethyl)ethane-1,2-diamine (PubChem CID 102875201) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is N'-cyclobutyl-N'-(pyrimidin-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclobutyl-N'-(pyrimidin-2-ylmethyl)ethane-1,2-diamine
PubChem CID102875201
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC NameN'-cyclobutyl-N'-(pyrimidin-2-ylmethyl)ethane-1,2-diamine
SMILESNCCN(Cc1ncccn1)C1CCC1
InChIInChI=1S/C11H18N4/c12-5-8-15(10-3-1-4-10)9-11-13-6-2-7-14-11/h2,6-7,10H,1,3-5,8-9,12H2
InChIKeyQFSKNDGSYFIWGF-UHFFFAOYSA-N
XLogP0.79
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-cyclopentyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 43137570
N'-cyclohexyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 55242009
N'-cyclobutyl-N'-[(2-methyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine
CID 102875207
N'-cyclobutyl-N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]ethane-1,2-diamine
CID 102875127
N'-[(5-bromo-2-pyridinyl)methyl]-N'-cyclopentylethane-1,2-diamine
CID 104798115
N'-cyclohexyl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 63761871
N'-cyclobutyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 102875260
N'-[(3-chlorophenyl)methyl]-N'-cyclopentylethane-1,2-diamine
CID 39356192
N'-[(4-bromophenyl)methyl]-N'-cyclohexylethane-1,2-diamine
CID 39449548
N'-cyclopentyl-N'-[(1-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 82866285
N'-cyclobutyl-N'-[(3,4-dimethylphenyl)methyl]ethane-1,2-diamine
CID 102875205
N'-cyclopropyl-N'-[(2-methyltetrazol-5-yl)methyl]ethane-1,2-diamine
CID 107041799

Frequently Asked Questions

What is the IUPAC name of N'-cyclobutyl-N'-(pyrimidin-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclobutyl-N'-(pyrimidin-2-ylmethyl)ethane-1,2-diamine (CID 102875201) is N'-cyclobutyl-N'-(pyrimidin-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclobutyl-N'-(pyrimidin-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclobutyl-N'-(pyrimidin-2-ylmethyl)ethane-1,2-diamine is NCCN(Cc1ncccn1)C1CCC1.
What is the InChIKey of N'-cyclobutyl-N'-(pyrimidin-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is QFSKNDGSYFIWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c12-5-8-15(10-3-1-4-10)9-11-13-6-2-7-14-11/h2,6-7,10H,1,3-5,8-9,12H2.
What are the key properties of N'-cyclobutyl-N'-(pyrimidin-2-ylmethyl)ethane-1,2-diamine?
N'-cyclobutyl-N'-(pyrimidin-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 206.29 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclobutyl-N'-(pyrimidin-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 102875201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).