4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylpyrimidin-5-amine

C14H26N4S — CID 112665331

IUPAC4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylpyrimidin-5-amine
SMILESCCC(CSC)N(C)c1cnc(C(C)C)nc1CN
InChIInChI=1S/C14H26N4S/c1-6-11(9-19-5)18(4)13-8-16-14(10(2)3)17-12(13)7-15/h8,10-11H,6-7,9,15H2,1-5H3
InChIKeyUFVNKDIVNGPOLZ-UHFFFAOYSA-N
MW282.46 g/mol
LogP2.64
Rot. Bonds7

About 4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylpyrimidin-5-amine

4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylpyrimidin-5-amine (PubChem CID 112665331) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is 4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylpyrimidin-5-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylpyrimidin-5-amine
PubChem CID112665331
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC Name4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylpyrimidin-5-amine
SMILESCCC(CSC)N(C)c1cnc(C(C)C)nc1CN
InChIInChI=1S/C14H26N4S/c1-6-11(9-19-5)18(4)13-8-16-14(10(2)3)17-12(13)7-15/h8,10-11H,6-7,9,15H2,1-5H3
InChIKeyUFVNKDIVNGPOLZ-UHFFFAOYSA-N
XLogP2.64
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(aminomethyl)-N-methyl-N-pentan-3-yl-2-propan-2-ylpyrimidin-5-amine
CID 62285825
4-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-2-propan-2-ylpyrimidin-5-amine
CID 79491452
4-(aminomethyl)-N,N-diethyl-2-propan-2-ylpyrimidin-5-amine
CID 62299633
4-(chloromethyl)-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propan-2-ylpyrimidin-5-amine
CID 112663645
4-(aminomethyl)-N,N-dibutyl-2-propan-2-ylpyrimidin-5-amine
CID 62300682
4-(aminomethyl)-N-methyl-N-(2-methylphenyl)-2-propan-2-ylpyrimidin-5-amine
CID 62286715
4-(aminomethyl)-N-(2-methoxypropyl)-N-methyl-2-propan-2-ylpyrimidin-5-amine
CID 112754624
4-[(cyclopropylamino)methyl]-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-propan-2-ylpyrimidin-5-amine
CID 115987729
4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-2-propan-2-ylpyrimidin-5-amine
CID 63938723
6-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyrazin-2-amine
CID 112665333
4-(aminomethyl)-N-methyl-2-propan-2-yl-N-(1,3-thiazol-4-ylmethyl)pyrimidin-5-amine
CID 62286192
4-(aminomethyl)-6-ethyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 113381450

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylpyrimidin-5-amine?
The IUPAC name of 4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylpyrimidin-5-amine (CID 112665331) is 4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylpyrimidin-5-amine.
What is the SMILES notation for 4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylpyrimidin-5-amine?
The canonical SMILES for 4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylpyrimidin-5-amine is CCC(CSC)N(C)c1cnc(C(C)C)nc1CN.
What is the InChIKey of 4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylpyrimidin-5-amine?
The InChIKey is UFVNKDIVNGPOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-6-11(9-19-5)18(4)13-8-16-14(10(2)3)17-12(13)7-15/h8,10-11H,6-7,9,15H2,1-5H3.
What are the key properties of 4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylpyrimidin-5-amine?
4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylpyrimidin-5-amine has a molecular weight of 282.46 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-methyl-N-(1-methylsulfanylbutan-2-yl)-2-propan-2-ylpyrimidin-5-amine is sourced from PubChem (CID 112665331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).