N,4-dimethyl-5-(methylaminomethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine

C13H19N5S — CID 83186171

IUPACN,4-dimethyl-5-(methylaminomethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine
SMILESCNCc1cnc(N(C)Cc2scnc2C)nc1C
InChIInChI=1S/C13H19N5S/c1-9-11(5-14-3)6-15-13(17-9)18(4)7-12-10(2)16-8-19-12/h6,8,14H,5,7H2,1-4H3
InChIKeyNZOULNFSHAFVAO-UHFFFAOYSA-N
MW277.40 g/mol
LogP1.91
Rot. Bonds5

About N,4-dimethyl-5-(methylaminomethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine

N,4-dimethyl-5-(methylaminomethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine (PubChem CID 83186171) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is N,4-dimethyl-5-(methylaminomethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,4-dimethyl-5-(methylaminomethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine
PubChem CID83186171
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC NameN,4-dimethyl-5-(methylaminomethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine
SMILESCNCc1cnc(N(C)Cc2scnc2C)nc1C
InChIInChI=1S/C13H19N5S/c1-9-11(5-14-3)6-15-13(17-9)18(4)7-12-10(2)16-8-19-12/h6,8,14H,5,7H2,1-4H3
InChIKeyNZOULNFSHAFVAO-UHFFFAOYSA-N
XLogP1.91
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,3-dimethyl-4-(methylaminomethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 63837321
N-(cyclohexylmethyl)-N,4-dimethyl-5-(methylaminomethyl)pyrimidin-2-amine
CID 83186072
N,4-dimethyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)pyrimidin-2-amine
CID 83189165
4-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine
CID 107542037
N,1,3-trimethyl-4-(methylaminomethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazol-5-amine
CID 55259433
2-N,4-N,4-N-trimethyl-2-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80839437
N-[(4-bromothiophen-2-yl)methyl]-5-(ethylaminomethyl)-N,4-dimethylpyrimidin-2-amine
CID 83185537
N,N-dibutyl-4-methyl-5-(methylaminomethyl)pyrimidin-2-amine
CID 83185864
N,4-dimethyl-5-(methylaminomethyl)-N-(oxan-4-yl)pyrimidin-2-amine
CID 83185622
1-[4-fluoro-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]-N-methylmethanamine
CID 107455085
2-(ethylaminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]aniline
CID 63836968
N-ethyl-4-methyl-5-(methylaminomethyl)-N-phenylpyrimidin-2-amine
CID 83185236

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-5-(methylaminomethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine?
The IUPAC name of N,4-dimethyl-5-(methylaminomethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine (CID 83186171) is N,4-dimethyl-5-(methylaminomethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for N,4-dimethyl-5-(methylaminomethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for N,4-dimethyl-5-(methylaminomethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine is CNCc1cnc(N(C)Cc2scnc2C)nc1C.
What is the InChIKey of N,4-dimethyl-5-(methylaminomethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine?
The InChIKey is NZOULNFSHAFVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-9-11(5-14-3)6-15-13(17-9)18(4)7-12-10(2)16-8-19-12/h6,8,14H,5,7H2,1-4H3.
What are the key properties of N,4-dimethyl-5-(methylaminomethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine?
N,4-dimethyl-5-(methylaminomethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine has a molecular weight of 277.40 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-5-(methylaminomethyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 83186171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).