6-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine

C14H21N5S — CID 106041934

IUPAC6-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(NCCc2csc(C)n2)n1
InChIInChI=1S/C14H21N5S/c1-4-6-16-14-17-10(2)8-13(19-14)15-7-5-12-9-20-11(3)18-12/h8-9H,4-7H2,1-3H3,(H2,15,16,17,19)
InChIKeyPMLBVHXZMHFSCW-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.03
Rot. Bonds7

About 6-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine

6-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine (PubChem CID 106041934) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is 6-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
PubChem CID106041934
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC Name6-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(NCCc2csc(C)n2)n1
InChIInChI=1S/C14H21N5S/c1-4-6-16-14-17-10(2)8-13(19-14)15-7-5-12-9-20-11(3)18-12/h8-9H,4-7H2,1-3H3,(H2,15,16,17,19)
InChIKeyPMLBVHXZMHFSCW-UHFFFAOYSA-N
XLogP3.03
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-ethyl-6-methyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 80807956
4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyridine-2,4-diamine
CID 106041619
4-N-[2-(4-chlorophenyl)ethyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80776690
4-[2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 80776172
6-methyl-4-N-(2-methylsulfinylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 113480698
6-chloro-2-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80807795
4-N-dodecyl-6-methyl-2-N-octylpyrimidine-2,4-diamine
CID 5276785
6-methyl-4-N-[2-(1-methylpyrazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 80853005
4-N-[3-(diethylamino)propyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80777022
5,6-diethyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1,2,4-triazin-3-amine
CID 106544157
4-N-(2-cyclopentylethyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80790337
3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819138

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 6-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine (CID 106041934) is 6-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 6-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine is CCCNc1nc(C)cc(NCCc2csc(C)n2)n1.
What is the InChIKey of 6-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is PMLBVHXZMHFSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-4-6-16-14-17-10(2)8-13(19-14)15-7-5-12-9-20-11(3)18-12/h8-9H,4-7H2,1-3H3,(H2,15,16,17,19).
What are the key properties of 6-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine?
6-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 291.42 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 106041934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).