6-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-cyclobutylpyrimidin-4-amine

C14H23N5 — CID 115265369

IUPAC6-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-cyclobutylpyrimidin-4-amine
SMILESNCCC1CCN(c2cc(NC3CCC3)ncn2)C1
InChIInChI=1S/C14H23N5/c15-6-4-11-5-7-19(9-11)14-8-13(16-10-17-14)18-12-2-1-3-12/h8,10-12H,1-7,9,15H2,(H,16,17,18)
InChIKeyIWEHCIOPAXNOGG-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.62
Rot. Bonds5

About 6-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-cyclobutylpyrimidin-4-amine

6-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-cyclobutylpyrimidin-4-amine (PubChem CID 115265369) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 6-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-cyclobutylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-cyclobutylpyrimidin-4-amine
PubChem CID115265369
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name6-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-cyclobutylpyrimidin-4-amine
SMILESNCCC1CCN(c2cc(NC3CCC3)ncn2)C1
InChIInChI=1S/C14H23N5/c15-6-4-11-5-7-19(9-11)14-8-13(16-10-17-14)18-12-2-1-3-12/h8,10-12H,1-7,9,15H2,(H,16,17,18)
InChIKeyIWEHCIOPAXNOGG-UHFFFAOYSA-N
XLogP1.62
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 115265154
1-[6-(cyclobutylamino)pyrimidin-4-yl]piperidin-4-ol
CID 115265259
3-[(3S)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-propan-2-ylpropanamide
CID 129369239
1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-ol
CID 66569760
3-[(3S)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 95103142
3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-(2-methylpropyl)propanamide
CID 53174507
N-cyclopropyl-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-4-yl]propanamide
CID 53188633
3-[(3R)-1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-1-[4-(methoxymethyl)piperidin-1-yl]propan-1-one
CID 95103177
[6-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]hydrazine
CID 80918094
N-cyclobutyl-6-(6-methyl-1,4-diazepan-1-yl)pyrimidin-4-amine
CID 115265252
1-(4-cyclohexylpiperazin-1-yl)-3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]propan-1-one
CID 53174511
3-[1-[6-(cyclopropylamino)pyrimidin-4-yl]piperidin-3-yl]-N-[2-(dimethylamino)ethyl]propanamide
CID 53174502

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-cyclobutylpyrimidin-4-amine?
The IUPAC name of 6-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-cyclobutylpyrimidin-4-amine (CID 115265369) is 6-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-cyclobutylpyrimidin-4-amine.
What is the SMILES notation for 6-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-cyclobutylpyrimidin-4-amine?
The canonical SMILES for 6-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-cyclobutylpyrimidin-4-amine is NCCC1CCN(c2cc(NC3CCC3)ncn2)C1.
What is the InChIKey of 6-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-cyclobutylpyrimidin-4-amine?
The InChIKey is IWEHCIOPAXNOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c15-6-4-11-5-7-19(9-11)14-8-13(16-10-17-14)18-12-2-1-3-12/h8,10-12H,1-7,9,15H2,(H,16,17,18).
What are the key properties of 6-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-cyclobutylpyrimidin-4-amine?
6-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-cyclobutylpyrimidin-4-amine has a molecular weight of 261.37 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-cyclobutylpyrimidin-4-amine is sourced from PubChem (CID 115265369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).