N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)pyrimidin-2-amine

C14H26N4S — CID 112665398

IUPACN,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)pyrimidin-2-amine
SMILESCCCNCc1cnc(N(C)C(C)CSC)nc1C
InChIInChI=1S/C14H26N4S/c1-6-7-15-8-13-9-16-14(17-12(13)3)18(4)11(2)10-19-5/h9,11,15H,6-8,10H2,1-5H3
InChIKeyKRMCCLSYQQXIQR-UHFFFAOYSA-N
MW282.46 g/mol
LogP2.47
Rot. Bonds8

About N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)pyrimidin-2-amine

N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)pyrimidin-2-amine (PubChem CID 112665398) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)pyrimidin-2-amine
PubChem CID112665398
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC NameN,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)pyrimidin-2-amine
SMILESCCCNCc1cnc(N(C)C(C)CSC)nc1C
InChIInChI=1S/C14H26N4S/c1-6-7-15-8-13-9-16-14(17-12(13)3)18(4)11(2)10-19-5/h9,11,15H,6-8,10H2,1-5H3
InChIKeyKRMCCLSYQQXIQR-UHFFFAOYSA-N
XLogP2.47
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,4-dimethyl-N-(3-methylbutyl)-5-(propylaminomethyl)pyrimidin-2-amine
CID 83185277
N,4-dimethyl-N-(2-methylbutyl)-5-(propylaminomethyl)pyrimidin-2-amine
CID 83185424
4-methyl-N,N-dipropyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83186192
N,N,N'-trimethyl-N'-[4-methyl-5-(propylaminomethyl)pyrimidin-2-yl]propane-1,3-diamine
CID 83185920
4-methyl-N-propan-2-yl-N-prop-2-enyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83188945
N,4-dimethyl-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyrimidin-2-amine
CID 83186354
N-ethyl-4-methyl-N-phenyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83180589
N-(cyclopropylmethyl)-4-methyl-N-propyl-5-(propylaminomethyl)pyrimidin-2-amine
CID 83186228
5-(ethylaminomethyl)-4-methyl-N,N-dipropylpyrimidin-2-amine
CID 83186275
N-butan-2-yl-5-[(cyclopropylamino)methyl]-N,4-dimethylpyrimidin-2-amine
CID 83186362
N,4-dimethyl-N-(oxolan-3-yl)-5-(propylaminomethyl)pyrimidin-2-amine
CID 83189478
N,N-diethyl-5-(ethylaminomethyl)-4-methylpyrimidin-2-amine
CID 83186097

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)pyrimidin-2-amine?
The IUPAC name of N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)pyrimidin-2-amine (CID 112665398) is N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)pyrimidin-2-amine.
What is the SMILES notation for N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)pyrimidin-2-amine?
The canonical SMILES for N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)pyrimidin-2-amine is CCCNCc1cnc(N(C)C(C)CSC)nc1C.
What is the InChIKey of N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)pyrimidin-2-amine?
The InChIKey is KRMCCLSYQQXIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-6-7-15-8-13-9-16-14(17-12(13)3)18(4)11(2)10-19-5/h9,11,15H,6-8,10H2,1-5H3.
What are the key properties of N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)pyrimidin-2-amine?
N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)pyrimidin-2-amine has a molecular weight of 282.46 g/mol, XLogP of 2.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(1-methylsulfanylpropan-2-yl)-5-(propylaminomethyl)pyrimidin-2-amine is sourced from PubChem (CID 112665398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).