6-(3-aminocyclobutyl)-2-N,2-N-dimethyl-4-N-[3-(triazol-1-yl)propyl]pyrimidine-2,4-diamine;dihydrochloride

C15H26Cl2N8 — CID 154902328

IUPAC6-(3-aminocyclobutyl)-2-N,2-N-dimethyl-4-N-[3-(triazol-1-yl)propyl]pyrimidine-2,4-diamine;dihydrochloride
SMILESCN(C)c1nc(NCCCn2ccnn2)cc(C2CC(N)C2)n1.Cl.Cl
InChIInChI=1S/C15H24N8.2ClH/c1-22(2)15-19-13(11-8-12(16)9-11)10-14(20-15)17-4-3-6-23-7-5-18-21-23;;/h5,7,10-12H,3-4,6,8-9,16H2,1-2H3,(H,17,19,20);2*1H
InChIKeyRWRWQQMLMVQTJE-UHFFFAOYSA-N
MW389.34 g/mol
LogP1.68
Rot. Bonds7

About 6-(3-aminocyclobutyl)-2-N,2-N-dimethyl-4-N-[3-(triazol-1-yl)propyl]pyrimidine-2,4-diamine;dihydrochloride

6-(3-aminocyclobutyl)-2-N,2-N-dimethyl-4-N-[3-(triazol-1-yl)propyl]pyrimidine-2,4-diamine;dihydrochloride (PubChem CID 154902328) has the molecular formula C15H26Cl2N8 and a molecular weight of 389.34 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-2-N,2-N-dimethyl-4-N-[3-(triazol-1-yl)propyl]pyrimidine-2,4-diamine;dihydrochloride.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-2-N,2-N-dimethyl-4-N-[3-(triazol-1-yl)propyl]pyrimidine-2,4-diamine;dihydrochloride
PubChem CID154902328
Molecular FormulaC15H26Cl2N8
Molecular Weight389.34 g/mol
Exact Mass388.17
IUPAC Name6-(3-aminocyclobutyl)-2-N,2-N-dimethyl-4-N-[3-(triazol-1-yl)propyl]pyrimidine-2,4-diamine;dihydrochloride
SMILESCN(C)c1nc(NCCCn2ccnn2)cc(C2CC(N)C2)n1.Cl.Cl
InChIInChI=1S/C15H24N8.2ClH/c1-22(2)15-19-13(11-8-12(16)9-11)10-14(20-15)17-4-3-6-23-7-5-18-21-23;;/h5,7,10-12H,3-4,6,8-9,16H2,1-2H3,(H,17,19,20);2*1H
InChIKeyRWRWQQMLMVQTJE-UHFFFAOYSA-N
XLogP1.68
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 6-(3-aminocyclobutyl)-2-N,2-N-dimethyl-4-N-[3-(triazol-1-yl)propyl]pyrimidine-2,4-diamine;dihydrochloride?
The IUPAC name of 6-(3-aminocyclobutyl)-2-N,2-N-dimethyl-4-N-[3-(triazol-1-yl)propyl]pyrimidine-2,4-diamine;dihydrochloride (CID 154902328) is 6-(3-aminocyclobutyl)-2-N,2-N-dimethyl-4-N-[3-(triazol-1-yl)propyl]pyrimidine-2,4-diamine;dihydrochloride.
What is the SMILES notation for 6-(3-aminocyclobutyl)-2-N,2-N-dimethyl-4-N-[3-(triazol-1-yl)propyl]pyrimidine-2,4-diamine;dihydrochloride?
The canonical SMILES for 6-(3-aminocyclobutyl)-2-N,2-N-dimethyl-4-N-[3-(triazol-1-yl)propyl]pyrimidine-2,4-diamine;dihydrochloride is CN(C)c1nc(NCCCn2ccnn2)cc(C2CC(N)C2)n1.Cl.Cl.
What is the InChIKey of 6-(3-aminocyclobutyl)-2-N,2-N-dimethyl-4-N-[3-(triazol-1-yl)propyl]pyrimidine-2,4-diamine;dihydrochloride?
The InChIKey is RWRWQQMLMVQTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N8.2ClH/c1-22(2)15-19-13(11-8-12(16)9-11)10-14(20-15)17-4-3-6-23-7-5-18-21-23;;/h5,7,10-12H,3-4,6,8-9,16H2,1-2H3,(H,17,19,20);2*1H.
What are the key properties of 6-(3-aminocyclobutyl)-2-N,2-N-dimethyl-4-N-[3-(triazol-1-yl)propyl]pyrimidine-2,4-diamine;dihydrochloride?
6-(3-aminocyclobutyl)-2-N,2-N-dimethyl-4-N-[3-(triazol-1-yl)propyl]pyrimidine-2,4-diamine;dihydrochloride has a molecular weight of 389.34 g/mol, XLogP of 1.68, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-2-N,2-N-dimethyl-4-N-[3-(triazol-1-yl)propyl]pyrimidine-2,4-diamine;dihydrochloride is sourced from PubChem (CID 154902328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).