2-N,6-dimethyl-4-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidine-2,4-diamine

C15H21N5S — CID 122566486

IUPAC2-N,6-dimethyl-4-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(NCCc2nc3c(s2)CCCC3)n1
InChIInChI=1S/C15H21N5S/c1-10-9-13(20-15(16-2)18-10)17-8-7-14-19-11-5-3-4-6-12(11)21-14/h9H,3-8H2,1-2H3,(H2,16,17,18,20)
InChIKeySQPJASWBDLQQKF-UHFFFAOYSA-N
MW303.44 g/mol
LogP2.82
Rot. Bonds5

About 2-N,6-dimethyl-4-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidine-2,4-diamine

2-N,6-dimethyl-4-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 122566486) has the molecular formula C15H21N5S and a molecular weight of 303.44 g/mol. Its IUPAC name is 2-N,6-dimethyl-4-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,6-dimethyl-4-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID122566486
Molecular FormulaC15H21N5S
Molecular Weight303.44 g/mol
Exact Mass303.15
IUPAC Name2-N,6-dimethyl-4-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(NCCc2nc3c(s2)CCCC3)n1
InChIInChI=1S/C15H21N5S/c1-10-9-13(20-15(16-2)18-10)17-8-7-14-19-11-5-3-4-6-12(11)21-14/h9H,3-8H2,1-2H3,(H2,16,17,18,20)
InChIKeySQPJASWBDLQQKF-UHFFFAOYSA-N
XLogP2.82
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.44
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N,6-dimethyl-4-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-6-ethylpyrimidine-2,4-diamine
CID 134414944
2-[6-[4-[(2-Methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-4-yl]ethanamine
CID 45174622
5-(2-Methyl-6-piperidin-3-ylpyrimidin-4-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-amine
CID 56712445
2-methyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-amine dihydrochloride
CID 56895869
N~4~-{[2-(dimethylamino)-1,3-thiazol-4-yl]methyl}-6-isopropylpyrimidine-2,4-diamine
CID 72842929
6-propan-2-yl-4-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 72882505
N-[2-(4,5-Dimethyl-1,3-thiazol-2-YL)ethyl]-1-(6-ethyl-2-methylpyrimidin-4-YL)piperidin-4-amine
CID 72929445
4-methyl-N-[2-methyl-6-(1-methylpiperidin-2-yl)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 110269637
Cambridge id 6914286
CID 2292768
6-(2-Aminoethyl)-N-[(2-isopropyl-1,3-thiazol-4-YL)methyl]-N,2-dimethylpyrimidin-4-amine
CID 56701328
N-[(1S)-1-(2,4-dimethylpyrimidin-5-yl)ethyl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-amine
CID 97322099
4,6-dimethyl-N-[(2S)-2-(4-methyl-1,3-thiazol-2-yl)propyl]pyrimidin-2-amine
CID 125137571

Frequently Asked Questions

What is the IUPAC name of 2-N,6-dimethyl-4-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 2-N,6-dimethyl-4-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidine-2,4-diamine (CID 122566486) is 2-N,6-dimethyl-4-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,6-dimethyl-4-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N,6-dimethyl-4-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidine-2,4-diamine is CNc1nc(C)cc(NCCc2nc3c(s2)CCCC3)n1.
What is the InChIKey of 2-N,6-dimethyl-4-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is SQPJASWBDLQQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5S/c1-10-9-13(20-15(16-2)18-10)17-8-7-14-19-11-5-3-4-6-12(11)21-14/h9H,3-8H2,1-2H3,(H2,16,17,18,20).
What are the key properties of 2-N,6-dimethyl-4-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidine-2,4-diamine?
2-N,6-dimethyl-4-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 303.44 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-dimethyl-4-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 122566486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).