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

C14H21N5S — CID 72921549

IUPAC5-butyl-6-methyl-4-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine
SMILESCCCCc1c(C)nc(N)nc1NCCc1cscn1
InChIInChI=1S/C14H21N5S/c1-3-4-5-12-10(2)18-14(15)19-13(12)16-7-6-11-8-20-9-17-11/h8-9H,3-7H2,1-2H3,(H3,15,16,18,19)
InChIKeyHAGXSKQZAFPEQW-UHFFFAOYSA-N
MW291.42 g/mol
LogP2.82
Rot. Bonds7

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

5-butyl-6-methyl-4-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 72921549) has the molecular formula C14H21N5S and a molecular weight of 291.42 g/mol. Its IUPAC name is 5-butyl-6-methyl-4-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-butyl-6-methyl-4-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID72921549
Molecular FormulaC14H21N5S
Molecular Weight291.42 g/mol
Exact Mass291.15
IUPAC Name5-butyl-6-methyl-4-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine
SMILESCCCCc1c(C)nc(N)nc1NCCc1cscn1
InChIInChI=1S/C14H21N5S/c1-3-4-5-12-10(2)18-14(15)19-13(12)16-7-6-11-8-20-9-17-11/h8-9H,3-7H2,1-2H3,(H3,15,16,18,19)
InChIKeyHAGXSKQZAFPEQW-UHFFFAOYSA-N
XLogP2.82
TPSA76.72 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 ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-6-methyl-4-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-butyl-6-methyl-4-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine (CID 72921549) is 5-butyl-6-methyl-4-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-butyl-6-methyl-4-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-butyl-6-methyl-4-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine is CCCCc1c(C)nc(N)nc1NCCc1cscn1.
What is the InChIKey of 5-butyl-6-methyl-4-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is HAGXSKQZAFPEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5S/c1-3-4-5-12-10(2)18-14(15)19-13(12)16-7-6-11-8-20-9-17-11/h8-9H,3-7H2,1-2H3,(H3,15,16,18,19).
What are the key properties of 5-butyl-6-methyl-4-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine?
5-butyl-6-methyl-4-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 291.42 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-6-methyl-4-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 72921549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).