6-(3-aminocyclobutyl)-4-N-(3-ethoxypropyl)pyrimidine-2,4-diamine;dihydrochloride

C13H25Cl2N5O — CID 154902821

IUPAC6-(3-aminocyclobutyl)-4-N-(3-ethoxypropyl)pyrimidine-2,4-diamine;dihydrochloride
SMILESCCOCCCNc1cc(C2CC(N)C2)nc(N)n1.Cl.Cl
InChIInChI=1S/C13H23N5O.2ClH/c1-2-19-5-3-4-16-12-8-11(17-13(15)18-12)9-6-10(14)7-9;;/h8-10H,2-7,14H2,1H3,(H3,15,16,17,18);2*1H
InChIKeyRJPDMJSHXRWJNC-UHFFFAOYSA-N
MW338.28 g/mol
LogP1.95
Rot. Bonds7

About 6-(3-aminocyclobutyl)-4-N-(3-ethoxypropyl)pyrimidine-2,4-diamine;dihydrochloride

6-(3-aminocyclobutyl)-4-N-(3-ethoxypropyl)pyrimidine-2,4-diamine;dihydrochloride (PubChem CID 154902821) has the molecular formula C13H25Cl2N5O and a molecular weight of 338.28 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-4-N-(3-ethoxypropyl)pyrimidine-2,4-diamine;dihydrochloride.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-4-N-(3-ethoxypropyl)pyrimidine-2,4-diamine;dihydrochloride
PubChem CID154902821
Molecular FormulaC13H25Cl2N5O
Molecular Weight338.28 g/mol
Exact Mass337.14
IUPAC Name6-(3-aminocyclobutyl)-4-N-(3-ethoxypropyl)pyrimidine-2,4-diamine;dihydrochloride
SMILESCCOCCCNc1cc(C2CC(N)C2)nc(N)n1.Cl.Cl
InChIInChI=1S/C13H23N5O.2ClH/c1-2-19-5-3-4-16-12-8-11(17-13(15)18-12)9-6-10(14)7-9;;/h8-10H,2-7,14H2,1H3,(H3,15,16,17,18);2*1H
InChIKeyRJPDMJSHXRWJNC-UHFFFAOYSA-N
XLogP1.95
TPSA99.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.28
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]butan-1-ol
CID 91792554
6-(3-aminocyclobutyl)-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 91766519
6-(3-aminocyclobutyl)-4-N-(3-pyridin-4-ylpropyl)pyrimidine-2,4-diamine
CID 91787226
6-(3-aminocyclobutyl)-4-N-(4-phenylbutyl)pyrimidine-2,4-diamine
CID 91789180
6-(3-aminocyclobutyl)-4-N-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-diamine;dihydrochloride
CID 154902401
6-(3-aminocyclobutyl)-4-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine
CID 91768815
3-[2-amino-6-(3-propan-2-yloxypropylamino)pyrimidin-4-yl]cyclobutan-1-ol
CID 91787116
6-(3-aminocyclobutyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine;dihydrochloride
CID 154903345
6-(3-aminocyclobutyl)-4-N-[3-(pyridin-3-ylamino)propyl]pyrimidine-2,4-diamine
CID 91779112
6-(3-aminocyclobutyl)-4-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 91798368
6-(3-aminocyclobutyl)-4-N-[2-(3-methylpyrazol-1-yl)ethyl]pyrimidine-2,4-diamine;dihydrochloride
CID 154903434
6-(3-aminocyclobutyl)-4-N-[2-(3-chlorophenyl)ethyl]pyrimidine-2,4-diamine;dihydrochloride
CID 154901843

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-4-N-(3-ethoxypropyl)pyrimidine-2,4-diamine;dihydrochloride?
The IUPAC name of 6-(3-aminocyclobutyl)-4-N-(3-ethoxypropyl)pyrimidine-2,4-diamine;dihydrochloride (CID 154902821) is 6-(3-aminocyclobutyl)-4-N-(3-ethoxypropyl)pyrimidine-2,4-diamine;dihydrochloride.
What is the SMILES notation for 6-(3-aminocyclobutyl)-4-N-(3-ethoxypropyl)pyrimidine-2,4-diamine;dihydrochloride?
The canonical SMILES for 6-(3-aminocyclobutyl)-4-N-(3-ethoxypropyl)pyrimidine-2,4-diamine;dihydrochloride is CCOCCCNc1cc(C2CC(N)C2)nc(N)n1.Cl.Cl.
What is the InChIKey of 6-(3-aminocyclobutyl)-4-N-(3-ethoxypropyl)pyrimidine-2,4-diamine;dihydrochloride?
The InChIKey is RJPDMJSHXRWJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O.2ClH/c1-2-19-5-3-4-16-12-8-11(17-13(15)18-12)9-6-10(14)7-9;;/h8-10H,2-7,14H2,1H3,(H3,15,16,17,18);2*1H.
What are the key properties of 6-(3-aminocyclobutyl)-4-N-(3-ethoxypropyl)pyrimidine-2,4-diamine;dihydrochloride?
6-(3-aminocyclobutyl)-4-N-(3-ethoxypropyl)pyrimidine-2,4-diamine;dihydrochloride has a molecular weight of 338.28 g/mol, XLogP of 1.95, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-4-N-(3-ethoxypropyl)pyrimidine-2,4-diamine;dihydrochloride is sourced from PubChem (CID 154902821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).