6-N-ethyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine

C15H23N5S — CID 80818951

IUPAC6-N-ethyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(N(C)Cc2scnc2C)c1C(C)C
InChIInChI=1S/C15H23N5S/c1-6-16-14-13(10(2)3)15(18-8-17-14)20(5)7-12-11(4)19-9-21-12/h8-10H,6-7H2,1-5H3,(H,16,17,18)
InChIKeyNDYYTPWRRCFFJG-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.43
Rot. Bonds6

About 6-N-ethyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine

6-N-ethyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80818951) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is 6-N-ethyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80818951
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC Name6-N-ethyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(N(C)Cc2scnc2C)c1C(C)C
InChIInChI=1S/C15H23N5S/c1-6-16-14-13(10(2)3)15(18-8-17-14)20(5)7-12-11(4)19-9-21-12/h8-10H,6-7H2,1-5H3,(H,16,17,18)
InChIKeyNDYYTPWRRCFFJG-UHFFFAOYSA-N
XLogP3.43
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 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) is 6-N-ethyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine is CCNc1ncnc(N(C)Cc2scnc2C)c1C(C)C.
What is the InChIKey of 6-N-ethyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is NDYYTPWRRCFFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-6-16-14-13(10(2)3)15(18-8-17-14)20(5)7-12-11(4)19-9-21-12/h8-10H,6-7H2,1-5H3,(H,16,17,18).
What are the key properties of 6-N-ethyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 305.45 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80818951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).