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

C14H21N5S — CID 72882505

IUPAC6-propan-2-yl-4-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
SMILESCC(C)c1cc(NCc2csc(C(C)C)n2)nc(N)n1
InChIInChI=1S/C14H21N5S/c1-8(2)11-5-12(19-14(15)18-11)16-6-10-7-20-13(17-10)9(3)4/h5,7-9H,6H2,1-4H3,(H3,15,16,18,19)
InChIKeyUEFOZUXWHXTULX-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.37
Rot. Bonds5

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

6-propan-2-yl-4-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 72882505) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is 6-propan-2-yl-4-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-propan-2-yl-4-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
PubChem CID72882505
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC Name6-propan-2-yl-4-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine
SMILESCC(C)c1cc(NCc2csc(C(C)C)n2)nc(N)n1
InChIInChI=1S/C14H21N5S/c1-8(2)11-5-12(19-14(15)18-11)16-6-10-7-20-13(17-10)9(3)4/h5,7-9H,6H2,1-4H3,(H3,15,16,18,19)
InChIKeyUEFOZUXWHXTULX-UHFFFAOYSA-N
XLogP3.37
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-4-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-propan-2-yl-4-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine (CID 72882505) is 6-propan-2-yl-4-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-propan-2-yl-4-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-propan-2-yl-4-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine is CC(C)c1cc(NCc2csc(C(C)C)n2)nc(N)n1.
What is the InChIKey of 6-propan-2-yl-4-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is UEFOZUXWHXTULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-8(2)11-5-12(19-14(15)18-11)16-6-10-7-20-13(17-10)9(3)4/h5,7-9H,6H2,1-4H3,(H3,15,16,18,19).
What are the key properties of 6-propan-2-yl-4-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine?
6-propan-2-yl-4-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 291.42 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-4-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 72882505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).