6-(3-aminocyclobutyl)-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4-diamine;dihydrochloride

C13H25Cl2N5O — CID 154902244

IUPAC6-(3-aminocyclobutyl)-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4-diamine;dihydrochloride
SMILESCOCCCN(C)c1cc(C2CC(N)C2)nc(N)n1.Cl.Cl
InChIInChI=1S/C13H23N5O.2ClH/c1-18(4-3-5-19-2)12-8-11(16-13(15)17-12)9-6-10(14)7-9;;/h8-10H,3-7,14H2,1-2H3,(H2,15,16,17);2*1H
InChIKeyAQIXJCOCKWTRCN-UHFFFAOYSA-N
MW338.28 g/mol
LogP1.58
Rot. Bonds6

About 6-(3-aminocyclobutyl)-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4-diamine;dihydrochloride

6-(3-aminocyclobutyl)-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4-diamine;dihydrochloride (PubChem CID 154902244) has the molecular formula C13H25Cl2N5O and a molecular weight of 338.28 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4-diamine;dihydrochloride.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4-diamine;dihydrochloride
PubChem CID154902244
Molecular FormulaC13H25Cl2N5O
Molecular Weight338.28 g/mol
Exact Mass337.14
IUPAC Name6-(3-aminocyclobutyl)-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4-diamine;dihydrochloride
SMILESCOCCCN(C)c1cc(C2CC(N)C2)nc(N)n1.Cl.Cl
InChIInChI=1S/C13H23N5O.2ClH/c1-18(4-3-5-19-2)12-8-11(16-13(15)17-12)9-6-10(14)7-9;;/h8-10H,3-7,14H2,1-2H3,(H2,15,16,17);2*1H
InChIKeyAQIXJCOCKWTRCN-UHFFFAOYSA-N
XLogP1.58
TPSA90.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.28
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(3-aminocyclobutyl)-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4-diamine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3-aminocyclobutyl)-N-(3-methoxypropyl)-N-methylpyrimidin-4-amine
CID 91792506
6-(3-aminocyclobutyl)-4-N-[(4-methoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 91767141
3-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]-methylamino]-N-methylpropanamide
CID 91766904
6-(3-aminocyclobutyl)-4-N-methyl-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 91767683
6-(3-aminocyclobutyl)-4-N-methyl-4-N-(1,3-thiazol-2-ylmethyl)pyrimidine-2,4-diamine;dihydrochloride
CID 154902159
6-(3-aminocyclobutyl)-4-N-methyl-4-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]pyrimidine-2,4-diamine
CID 91791117
6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrimidine-2,4-diamine
CID 91795368
6-(3-aminocyclobutyl)-4-N-(2-indol-1-ylethyl)-4-N-methylpyrimidine-2,4-diamine
CID 91787968
6-(3-aminocyclobutyl)-4-N-[(5-chloro-2-ethoxyphenyl)methyl]-4-N-methylpyrimidine-2,4-diamine;dihydrochloride
CID 154902027
6-N-ethyl-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4,6-triamine
CID 80823224
6-(3-aminocyclobutyl)-4-N-methyl-4-N-[(3-propyl-1H-pyrazol-5-yl)methyl]pyrimidine-2,4-diamine;dihydrochloride
CID 154902804
6-(3-aminocyclobutyl)-4-N-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 91789045

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4-diamine;dihydrochloride?
The IUPAC name of 6-(3-aminocyclobutyl)-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4-diamine;dihydrochloride (CID 154902244) is 6-(3-aminocyclobutyl)-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4-diamine;dihydrochloride.
What is the SMILES notation for 6-(3-aminocyclobutyl)-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4-diamine;dihydrochloride?
The canonical SMILES for 6-(3-aminocyclobutyl)-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4-diamine;dihydrochloride is COCCCN(C)c1cc(C2CC(N)C2)nc(N)n1.Cl.Cl.
What is the InChIKey of 6-(3-aminocyclobutyl)-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4-diamine;dihydrochloride?
The InChIKey is AQIXJCOCKWTRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O.2ClH/c1-18(4-3-5-19-2)12-8-11(16-13(15)17-12)9-6-10(14)7-9;;/h8-10H,3-7,14H2,1-2H3,(H2,15,16,17);2*1H.
What are the key properties of 6-(3-aminocyclobutyl)-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4-diamine;dihydrochloride?
6-(3-aminocyclobutyl)-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4-diamine;dihydrochloride has a molecular weight of 338.28 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-4-N-(3-methoxypropyl)-4-N-methylpyrimidine-2,4-diamine;dihydrochloride is sourced from PubChem (CID 154902244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).