N-methyl-4-(4-methylpiperazin-1-yl)-5-methylsulfanyl-6-propoxypyrimidin-2-amine;hydrochloride

C14H26ClN5OS — CID 70610855

IUPACN-methyl-4-(4-methylpiperazin-1-yl)-5-methylsulfanyl-6-propoxypyrimidin-2-amine;hydrochloride
SMILESCCCOc1nc(NC)nc(N2CCN(C)CC2)c1SC.Cl
InChIInChI=1S/C14H25N5OS.ClH/c1-5-10-20-13-11(21-4)12(16-14(15-2)17-13)19-8-6-18(3)7-9-19;/h5-10H2,1-4H3,(H,15,16,17);1H
InChIKeyQJPIACTZPGFDSY-UHFFFAOYSA-N
MW347.92 g/mol
LogP2.20
Rot. Bonds6

About N-methyl-4-(4-methylpiperazin-1-yl)-5-methylsulfanyl-6-propoxypyrimidin-2-amine;hydrochloride

N-methyl-4-(4-methylpiperazin-1-yl)-5-methylsulfanyl-6-propoxypyrimidin-2-amine;hydrochloride (PubChem CID 70610855) has the molecular formula C14H26ClN5OS and a molecular weight of 347.92 g/mol. Its IUPAC name is N-methyl-4-(4-methylpiperazin-1-yl)-5-methylsulfanyl-6-propoxypyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-4-(4-methylpiperazin-1-yl)-5-methylsulfanyl-6-propoxypyrimidin-2-amine;hydrochloride
PubChem CID70610855
Molecular FormulaC14H26ClN5OS
Molecular Weight347.92 g/mol
Exact Mass347.15
IUPAC NameN-methyl-4-(4-methylpiperazin-1-yl)-5-methylsulfanyl-6-propoxypyrimidin-2-amine;hydrochloride
SMILESCCCOc1nc(NC)nc(N2CCN(C)CC2)c1SC.Cl
InChIInChI=1S/C14H25N5OS.ClH/c1-5-10-20-13-11(21-4)12(16-14(15-2)17-13)19-8-6-18(3)7-9-19;/h5-10H2,1-4H3,(H,15,16,17);1H
InChIKeyQJPIACTZPGFDSY-UHFFFAOYSA-N
XLogP2.20
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.92
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-N-methyl-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine;hydron;chloride
CID 91985266
4-chloro-N-(3-methoxypropyl)-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine
CID 3043437
N-[(4-tert-butylphenyl)methyl]-4-chloro-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine
CID 15567766
4-chloro-N-[(2-methoxyphenyl)methyl]-6-(4-methylpiperazin-1-yl)-5-methylsulfanylpyrimidin-2-amine
CID 15567768
4-methoxy-N-methyl-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 80767737
5-bromo-4-(4-methyl-1,4-diazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80766308
5-chloro-N-ethyl-4-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine
CID 80766486
4-(3-ethylpiperidin-1-yl)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80793428
[5-fluoro-4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]hydrazine
CID 80927536
3-propoxy-4-pyrrolidin-1-yl-1,2,5-thiadiazole
CID 43949481
N-methyl-4-(1-methylpyrazol-4-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-amine
CID 80892179
6-methoxy-N-methyl-4-propoxyquinazolin-2-amine
CID 68764618

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-methylpiperazin-1-yl)-5-methylsulfanyl-6-propoxypyrimidin-2-amine;hydrochloride?
The IUPAC name of N-methyl-4-(4-methylpiperazin-1-yl)-5-methylsulfanyl-6-propoxypyrimidin-2-amine;hydrochloride (CID 70610855) is N-methyl-4-(4-methylpiperazin-1-yl)-5-methylsulfanyl-6-propoxypyrimidin-2-amine;hydrochloride.
What is the SMILES notation for N-methyl-4-(4-methylpiperazin-1-yl)-5-methylsulfanyl-6-propoxypyrimidin-2-amine;hydrochloride?
The canonical SMILES for N-methyl-4-(4-methylpiperazin-1-yl)-5-methylsulfanyl-6-propoxypyrimidin-2-amine;hydrochloride is CCCOc1nc(NC)nc(N2CCN(C)CC2)c1SC.Cl.
What is the InChIKey of N-methyl-4-(4-methylpiperazin-1-yl)-5-methylsulfanyl-6-propoxypyrimidin-2-amine;hydrochloride?
The InChIKey is QJPIACTZPGFDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5OS.ClH/c1-5-10-20-13-11(21-4)12(16-14(15-2)17-13)19-8-6-18(3)7-9-19;/h5-10H2,1-4H3,(H,15,16,17);1H.
What are the key properties of N-methyl-4-(4-methylpiperazin-1-yl)-5-methylsulfanyl-6-propoxypyrimidin-2-amine;hydrochloride?
N-methyl-4-(4-methylpiperazin-1-yl)-5-methylsulfanyl-6-propoxypyrimidin-2-amine;hydrochloride has a molecular weight of 347.92 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-methylpiperazin-1-yl)-5-methylsulfanyl-6-propoxypyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 70610855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).