N,N,N'-trimethyl-N'-[4-methyl-6-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]ethane-1,2-diamine

C14H21N5S — CID 141105139

IUPACN,N,N'-trimethyl-N'-[4-methyl-6-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]ethane-1,2-diamine
SMILESCc1cc(-c2scnc2C)nc(N(C)CCN(C)C)n1
InChIInChI=1S/C14H21N5S/c1-10-8-12(13-11(2)15-9-20-13)17-14(16-10)19(5)7-6-18(3)4/h8-9H,6-7H2,1-5H3
InChIKeyJELLCUCEFHCIBM-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.21
Rot. Bonds5

About N,N,N'-trimethyl-N'-[4-methyl-6-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]ethane-1,2-diamine

N,N,N'-trimethyl-N'-[4-methyl-6-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]ethane-1,2-diamine (PubChem CID 141105139) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[4-methyl-6-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[4-methyl-6-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]ethane-1,2-diamine
PubChem CID141105139
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC NameN,N,N'-trimethyl-N'-[4-methyl-6-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]ethane-1,2-diamine
SMILESCc1cc(-c2scnc2C)nc(N(C)CCN(C)C)n1
InChIInChI=1S/C14H21N5S/c1-10-8-12(13-11(2)15-9-20-13)17-14(16-10)19(5)7-6-18(3)4/h8-9H,6-7H2,1-5H3
InChIKeyJELLCUCEFHCIBM-UHFFFAOYSA-N
XLogP2.21
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[4-methyl-6-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]ethane-1,2-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[4-methyl-6-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]ethane-1,2-diamine (CID 141105139) is N,N,N'-trimethyl-N'-[4-methyl-6-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]ethane-1,2-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[4-methyl-6-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]ethane-1,2-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[4-methyl-6-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]ethane-1,2-diamine is Cc1cc(-c2scnc2C)nc(N(C)CCN(C)C)n1.
What is the InChIKey of N,N,N'-trimethyl-N'-[4-methyl-6-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]ethane-1,2-diamine?
The InChIKey is JELLCUCEFHCIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-10-8-12(13-11(2)15-9-20-13)17-14(16-10)19(5)7-6-18(3)4/h8-9H,6-7H2,1-5H3.
What are the key properties of N,N,N'-trimethyl-N'-[4-methyl-6-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]ethane-1,2-diamine?
N,N,N'-trimethyl-N'-[4-methyl-6-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]ethane-1,2-diamine has a molecular weight of 291.42 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[4-methyl-6-(4-methyl-1,3-thiazol-5-yl)pyrimidin-2-yl]ethane-1,2-diamine is sourced from PubChem (CID 141105139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).