4-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propan-2-ylpyrimidin-5-amine

C16H28N4S — CID 115987729

IUPAC4-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propan-2-ylpyrimidin-5-amine
SMILESCSCC(C)N(C)c1cnc(C(C)C)nc1CNC1CC1
InChIInChI=1S/C16H28N4S/c1-11(2)16-18-9-15(20(4)12(3)10-21-5)14(19-16)8-17-13-6-7-13/h9,11-13,17H,6-8,10H2,1-5H3
InChIKeyLHEVDIHRXSYYDX-UHFFFAOYSA-N
MW308.50 g/mol
LogP3.04
Rot. Bonds8

About 4-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propan-2-ylpyrimidin-5-amine

4-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propan-2-ylpyrimidin-5-amine (PubChem CID 115987729) has the molecular formula C16H28N4S and a molecular weight of 308.50 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propan-2-ylpyrimidin-5-amine.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propan-2-ylpyrimidin-5-amine
PubChem CID115987729
Molecular FormulaC16H28N4S
Molecular Weight308.50 g/mol
Exact Mass308.20
IUPAC Name4-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propan-2-ylpyrimidin-5-amine
SMILESCSCC(C)N(C)c1cnc(C(C)C)nc1CNC1CC1
InChIInChI=1S/C16H28N4S/c1-11(2)16-18-9-15(20(4)12(3)10-21-5)14(19-16)8-17-13-6-7-13/h9,11-13,17H,6-8,10H2,1-5H3
InChIKeyLHEVDIHRXSYYDX-UHFFFAOYSA-N
XLogP3.04
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.50
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propan-2-ylpyrimidin-5-amine
CID 112663645
4-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine
CID 62282983
4-[(cyclopropylamino)methyl]-N-(2,2-dimethylpropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine
CID 62288310
N'-[4-[(cyclopropylamino)methyl]-2-propan-2-ylpyrimidin-5-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 63700531
4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylpyrimidin-5-amine
CID 112665331
N-[(2-propan-2-yl-5-thiomorpholin-4-ylpyrimidin-4-yl)methyl]cyclopropanamine
CID 62278808
N-[[5-(3-methylpyrrolidin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methyl]cyclopropanamine
CID 62282645
4-(ethylaminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]-2-propan-2-ylpyrimidin-5-amine
CID 63865959
N-[[6-[[methyl(1-methylsulfanylpropan-2-yl)amino]methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106907080
5-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrazin-2-amine
CID 107380745
4-(chloromethyl)-N-ethyl-N-methyl-2-propan-2-ylpyrimidin-5-amine
CID 62088695
N-ethyl-4-(ethylaminomethyl)-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-5-amine
CID 62279544

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propan-2-ylpyrimidin-5-amine?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propan-2-ylpyrimidin-5-amine (CID 115987729) is 4-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propan-2-ylpyrimidin-5-amine.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propan-2-ylpyrimidin-5-amine?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propan-2-ylpyrimidin-5-amine is CSCC(C)N(C)c1cnc(C(C)C)nc1CNC1CC1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propan-2-ylpyrimidin-5-amine?
The InChIKey is LHEVDIHRXSYYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4S/c1-11(2)16-18-9-15(20(4)12(3)10-21-5)14(19-16)8-17-13-6-7-13/h9,11-13,17H,6-8,10H2,1-5H3.
What are the key properties of 4-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propan-2-ylpyrimidin-5-amine?
4-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propan-2-ylpyrimidin-5-amine has a molecular weight of 308.50 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propan-2-ylpyrimidin-5-amine is sourced from PubChem (CID 115987729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).