N-butyl-2-methyl-5-(2-thiophen-2-ylethyl)pyrimidin-4-amine

C15H21N3S — CID 118332675

IUPACN-butyl-2-methyl-5-(2-thiophen-2-ylethyl)pyrimidin-4-amine
SMILESCCCCNc1nc(C)ncc1CCc1cccs1
InChIInChI=1S/C15H21N3S/c1-3-4-9-16-15-13(11-17-12(2)18-15)7-8-14-6-5-10-19-14/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,16,17,18)
InChIKeyLZGBKJPWOPSCAO-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.84
Rot. Bonds7

About N-butyl-2-methyl-5-(2-thiophen-2-ylethyl)pyrimidin-4-amine

N-butyl-2-methyl-5-(2-thiophen-2-ylethyl)pyrimidin-4-amine (PubChem CID 118332675) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-butyl-2-methyl-5-(2-thiophen-2-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-2-methyl-5-(2-thiophen-2-ylethyl)pyrimidin-4-amine
PubChem CID118332675
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-butyl-2-methyl-5-(2-thiophen-2-ylethyl)pyrimidin-4-amine
SMILESCCCCNc1nc(C)ncc1CCc1cccs1
InChIInChI=1S/C15H21N3S/c1-3-4-9-16-15-13(11-17-12(2)18-15)7-8-14-6-5-10-19-14/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,16,17,18)
InChIKeyLZGBKJPWOPSCAO-UHFFFAOYSA-N
XLogP3.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.84
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

methyl 2-methyl-4-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylate
CID 114214014
4-N,5-N-dibutyl-2-methylpyrimidine-4,5-diamine
CID 18737835
N-butyl-4-thiophen-2-ylbutan-1-amine
CID 60984563
N-methyl-1-[2-methyl-4-(2-thiophen-2-ylethoxy)pyrimidin-5-yl]methanamine
CID 114217140
2-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 62786037
2-chloro-5-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 79075871
6-chloro-5-methyl-2-propyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80971140
N-butyl-5-thiophen-2-ylpentan-1-amine
CID 83980454
1-[[2-methyl-4-(pentylamino)pyrimidin-5-yl]methyl]pyridin-2-one
CID 121288989
1-[[4-(butylamino)-2-methylpyrimidin-5-yl]methyl]-4-methylpyridin-2-one
CID 121288788
4-N-butyl-5-hexylpyrimidine-2,4-diamine
CID 123602752
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methyl-5-propylpyrimidin-4-amine
CID 134709086

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methyl-5-(2-thiophen-2-ylethyl)pyrimidin-4-amine?
The IUPAC name of N-butyl-2-methyl-5-(2-thiophen-2-ylethyl)pyrimidin-4-amine (CID 118332675) is N-butyl-2-methyl-5-(2-thiophen-2-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for N-butyl-2-methyl-5-(2-thiophen-2-ylethyl)pyrimidin-4-amine?
The canonical SMILES for N-butyl-2-methyl-5-(2-thiophen-2-ylethyl)pyrimidin-4-amine is CCCCNc1nc(C)ncc1CCc1cccs1.
What is the InChIKey of N-butyl-2-methyl-5-(2-thiophen-2-ylethyl)pyrimidin-4-amine?
The InChIKey is LZGBKJPWOPSCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-3-4-9-16-15-13(11-17-12(2)18-15)7-8-14-6-5-10-19-14/h5-6,10-11H,3-4,7-9H2,1-2H3,(H,16,17,18).
What are the key properties of N-butyl-2-methyl-5-(2-thiophen-2-ylethyl)pyrimidin-4-amine?
N-butyl-2-methyl-5-(2-thiophen-2-ylethyl)pyrimidin-4-amine has a molecular weight of 275.42 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methyl-5-(2-thiophen-2-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 118332675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).