4-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-6-ethylpyrimidine-2,4-diamine

C12H18N6S — CID 134414944

IUPAC4-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-6-ethylpyrimidine-2,4-diamine
SMILESCCc1cc(NCCCc2csc(N)n2)nc(N)n1
InChIInChI=1S/C12H18N6S/c1-2-8-6-10(18-11(13)16-8)15-5-3-4-9-7-19-12(14)17-9/h6-7H,2-5H2,1H3,(H2,14,17)(H3,13,15,16,18)
InChIKeyRSIOGQDNASJWIX-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.70
Rot. Bonds6

About 4-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-6-ethylpyrimidine-2,4-diamine

4-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-6-ethylpyrimidine-2,4-diamine (PubChem CID 134414944) has the molecular formula C12H18N6S and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-6-ethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-6-ethylpyrimidine-2,4-diamine
PubChem CID134414944
Molecular FormulaC12H18N6S
Molecular Weight278.38 g/mol
Exact Mass278.13
IUPAC Name4-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-6-ethylpyrimidine-2,4-diamine
SMILESCCc1cc(NCCCc2csc(N)n2)nc(N)n1
InChIInChI=1S/C12H18N6S/c1-2-8-6-10(18-11(13)16-8)15-5-3-4-9-7-19-12(14)17-9/h6-7H,2-5H2,1H3,(H2,14,17)(H3,13,15,16,18)
InChIKeyRSIOGQDNASJWIX-UHFFFAOYSA-N
XLogP1.70
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-6-ethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-6-ethylpyrimidine-2,4-diamine (CID 134414944) is 4-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-6-ethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-6-ethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-6-ethylpyrimidine-2,4-diamine is CCc1cc(NCCCc2csc(N)n2)nc(N)n1.
What is the InChIKey of 4-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-6-ethylpyrimidine-2,4-diamine?
The InChIKey is RSIOGQDNASJWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6S/c1-2-8-6-10(18-11(13)16-8)15-5-3-4-9-7-19-12(14)17-9/h6-7H,2-5H2,1H3,(H2,14,17)(H3,13,15,16,18).
What are the key properties of 4-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-6-ethylpyrimidine-2,4-diamine?
4-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-6-ethylpyrimidine-2,4-diamine has a molecular weight of 278.38 g/mol, XLogP of 1.70, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-6-ethylpyrimidine-2,4-diamine is sourced from PubChem (CID 134414944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).