5-ethyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propylpyrimidine-4,6-diamine

C15H23N5S — CID 80818952

IUPAC5-ethyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(N(C)Cc2scnc2C)c1CC
InChIInChI=1S/C15H23N5S/c1-5-7-16-14-12(6-2)15(18-9-17-14)20(4)8-13-11(3)19-10-21-13/h9-10H,5-8H2,1-4H3,(H,16,17,18)
InChIKeyCVRQNOYHTZVLDI-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.26
Rot. Bonds7

About 5-ethyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propylpyrimidine-4,6-diamine

5-ethyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80818952) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is 5-ethyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
PubChem CID80818952
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC Name5-ethyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(N(C)Cc2scnc2C)c1CC
InChIInChI=1S/C15H23N5S/c1-5-7-16-14-12(6-2)15(18-9-17-14)20(4)8-13-11(3)19-10-21-13/h9-10H,5-8H2,1-4H3,(H,16,17,18)
InChIKeyCVRQNOYHTZVLDI-UHFFFAOYSA-N
XLogP3.26
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-4-N,6-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
CID 80838548
6-N-ethyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80818951
5-chloro-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80838918
6-chloro-N,5-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 63838232
5-N-methyl-5-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-N-propylpyridine-3,5-diamine
CID 104534718
2-[[5-ethyl-6-(propylamino)pyrimidin-4-yl]-methylamino]propan-1-ol
CID 113426535
5-ethyl-4-N,4-N-bis(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80778803
2-N,2-N-dimethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80812957
4-N,5-diethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80775397
N,2,2-trimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N'-propylpropane-1,3-diamine
CID 63837192
5-ethyl-4-N-methyl-4-N-(oxan-3-ylmethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80818393
3-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine
CID 55259980

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propylpyrimidine-4,6-diamine (CID 80818952) is 5-ethyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(N(C)Cc2scnc2C)c1CC.
What is the InChIKey of 5-ethyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is CVRQNOYHTZVLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-5-7-16-14-12(6-2)15(18-9-17-14)20(4)8-13-11(3)19-10-21-13/h9-10H,5-8H2,1-4H3,(H,16,17,18).
What are the key properties of 5-ethyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propylpyrimidine-4,6-diamine?
5-ethyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 305.45 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80818952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).