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

C14H21N5S — CID 80960727

IUPAC6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(NCc2csc(C)n2)nc(C(C)C)n1
InChIInChI=1S/C14H21N5S/c1-5-15-12-6-13(19-14(18-12)9(2)3)16-7-11-8-20-10(4)17-11/h6,8-9H,5,7H2,1-4H3,(H2,15,16,18,19)
InChIKeyRPGLCVWXDIOGEW-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.41
Rot. Bonds6

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

6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80960727) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is 6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80960727
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC Name6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(NCc2csc(C)n2)nc(C(C)C)n1
InChIInChI=1S/C14H21N5S/c1-5-15-12-6-13(19-14(18-12)9(2)3)16-7-11-8-20-10(4)17-11/h6,8-9H,5,7H2,1-4H3,(H2,15,16,18,19)
InChIKeyRPGLCVWXDIOGEW-UHFFFAOYSA-N
XLogP3.41
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine (CID 80960727) is 6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine is CCNc1cc(NCc2csc(C)n2)nc(C(C)C)n1.
What is the InChIKey of 6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is RPGLCVWXDIOGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-5-15-12-6-13(19-14(18-12)9(2)3)16-7-11-8-20-10(4)17-11/h6,8-9H,5,7H2,1-4H3,(H2,15,16,18,19).
What are the key properties of 6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine?
6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 291.42 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80960727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).