N-(cyclobutylmethyl)-N-ethyl-5-(propylaminomethyl)pyrimidin-2-amine

C15H26N4 — CID 107399952

IUPACN-(cyclobutylmethyl)-N-ethyl-5-(propylaminomethyl)pyrimidin-2-amine
SMILESCCCNCc1cnc(N(CC)CC2CCC2)nc1
InChIInChI=1S/C15H26N4/c1-3-8-16-9-14-10-17-15(18-11-14)19(4-2)12-13-6-5-7-13/h10-11,13,16H,3-9,12H2,1-2H3
InChIKeyUKXVBGPLBOKIEH-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.60
Rot. Bonds8

About N-(cyclobutylmethyl)-N-ethyl-5-(propylaminomethyl)pyrimidin-2-amine

N-(cyclobutylmethyl)-N-ethyl-5-(propylaminomethyl)pyrimidin-2-amine (PubChem CID 107399952) has the molecular formula C15H26N4 and a molecular weight of 262.40 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-N-ethyl-5-(propylaminomethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-N-ethyl-5-(propylaminomethyl)pyrimidin-2-amine
PubChem CID107399952
Molecular FormulaC15H26N4
Molecular Weight262.40 g/mol
Exact Mass262.22
IUPAC NameN-(cyclobutylmethyl)-N-ethyl-5-(propylaminomethyl)pyrimidin-2-amine
SMILESCCCNCc1cnc(N(CC)CC2CCC2)nc1
InChIInChI=1S/C15H26N4/c1-3-8-16-9-14-10-17-15(18-11-14)19(4-2)12-13-6-5-7-13/h10-11,13,16H,3-9,12H2,1-2H3
InChIKeyUKXVBGPLBOKIEH-UHFFFAOYSA-N
XLogP2.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(cyclobutylmethyl)-N-ethyl-3-fluoro-5-(propylaminomethyl)aniline
CID 107402459
N-cyclopropyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 113388041
N-(cyclobutylmethyl)-N-ethyl-4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine
CID 107401794
N-(cyclopropylmethyl)-N-ethyl-5-(propylaminomethyl)pyrimidin-4-amine
CID 114216358
N-(cyclopropylmethyl)-4-methyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83186228
N-(cyclobutylmethyl)-5-[(cyclopropylamino)methyl]-N-ethylpyridin-2-amine
CID 107399965
N-[(2-propylpyrimidin-5-yl)methyl]propan-1-amine
CID 62757310
N-(cyclobutylmethyl)-N-ethyl-3-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 107399895
N-[(2-methylpyrimidin-5-yl)methyl]propan-1-amine
CID 60976157
4-N-(cyclobutylmethyl)-4-N-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 107403068
N-(cyclopropylmethyl)-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine
CID 80636301
N-[[4-[2-[cyclobutylmethyl(methyl)amino]ethoxy]phenyl]methyl]propan-1-amine
CID 62856752

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-N-ethyl-5-(propylaminomethyl)pyrimidin-2-amine?
The IUPAC name of N-(cyclobutylmethyl)-N-ethyl-5-(propylaminomethyl)pyrimidin-2-amine (CID 107399952) is N-(cyclobutylmethyl)-N-ethyl-5-(propylaminomethyl)pyrimidin-2-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-N-ethyl-5-(propylaminomethyl)pyrimidin-2-amine?
The canonical SMILES for N-(cyclobutylmethyl)-N-ethyl-5-(propylaminomethyl)pyrimidin-2-amine is CCCNCc1cnc(N(CC)CC2CCC2)nc1.
What is the InChIKey of N-(cyclobutylmethyl)-N-ethyl-5-(propylaminomethyl)pyrimidin-2-amine?
The InChIKey is UKXVBGPLBOKIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4/c1-3-8-16-9-14-10-17-15(18-11-14)19(4-2)12-13-6-5-7-13/h10-11,13,16H,3-9,12H2,1-2H3.
What are the key properties of N-(cyclobutylmethyl)-N-ethyl-5-(propylaminomethyl)pyrimidin-2-amine?
N-(cyclobutylmethyl)-N-ethyl-5-(propylaminomethyl)pyrimidin-2-amine has a molecular weight of 262.40 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-N-ethyl-5-(propylaminomethyl)pyrimidin-2-amine is sourced from PubChem (CID 107399952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).