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

C15H22Cl2N6 — CID 154903345

IUPAC6-(3-aminocyclobutyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine;dihydrochloride
SMILESCl.Cl.Nc1nc(NCCc2ccncc2)cc(C2CC(N)C2)n1
InChIInChI=1S/C15H20N6.2ClH/c16-12-7-11(8-12)13-9-14(21-15(17)20-13)19-6-3-10-1-4-18-5-2-10;;/h1-2,4-5,9,11-12H,3,6-8,16H2,(H3,17,19,20,21);2*1H
InChIKeyDLBXIFFSPBFPHA-UHFFFAOYSA-N
MW357.29 g/mol
LogP2.16
Rot. Bonds5

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

6-(3-aminocyclobutyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine;dihydrochloride (PubChem CID 154903345) has the molecular formula C15H22Cl2N6 and a molecular weight of 357.29 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine;dihydrochloride.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine;dihydrochloride
PubChem CID154903345
Molecular FormulaC15H22Cl2N6
Molecular Weight357.29 g/mol
Exact Mass356.13
IUPAC Name6-(3-aminocyclobutyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine;dihydrochloride
SMILESCl.Cl.Nc1nc(NCCc2ccncc2)cc(C2CC(N)C2)n1
InChIInChI=1S/C15H20N6.2ClH/c16-12-7-11(8-12)13-9-14(21-15(17)20-13)19-6-3-10-1-4-18-5-2-10;;/h1-2,4-5,9,11-12H,3,6-8,16H2,(H3,17,19,20,21);2*1H
InChIKeyDLBXIFFSPBFPHA-UHFFFAOYSA-N
XLogP2.16
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3-aminocyclobutyl)-4-N-(3-pyridin-4-ylpropyl)pyrimidine-2,4-diamine
CID 91787226
6-(3-aminocyclobutyl)-4-N-[2-(4-methylphenyl)ethyl]pyrimidine-2,4-diamine;dihydrochloride
CID 154902401
6-(3-aminocyclobutyl)-4-N-[2-(3-chlorophenyl)ethyl]pyrimidine-2,4-diamine;dihydrochloride
CID 154901843
6-(3-aminocyclobutyl)-4-N-[2-(3-chlorophenyl)ethyl]pyrimidine-2,4-diamine
CID 91765713
6-(3-aminocyclobutyl)-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 91766519
6-(3-aminocyclobutyl)-4-N-(4-phenylbutyl)pyrimidine-2,4-diamine
CID 91789180
6-(3-aminocyclobutyl)-4-N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]pyrimidine-2,4-diamine
CID 91768815
6-(3-aminocyclobutyl)-4-N-[3-(pyridin-3-ylamino)propyl]pyrimidine-2,4-diamine
CID 91779112
4-[[2-amino-6-(3-aminocyclobutyl)pyrimidin-4-yl]amino]butan-1-ol
CID 91792554
6-(3-aminocyclobutyl)-4-N-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 91765644
6-(3-aminocyclobutyl)-4-N-(3-ethoxypropyl)pyrimidine-2,4-diamine;dihydrochloride
CID 154902821
6-(3-aminocyclobutyl)-2-cyclopropyl-N-(2-pyridin-3-ylethyl)pyrimidin-4-amine
CID 91782142

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine;dihydrochloride?
The IUPAC name of 6-(3-aminocyclobutyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine;dihydrochloride (CID 154903345) is 6-(3-aminocyclobutyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine;dihydrochloride.
What is the SMILES notation for 6-(3-aminocyclobutyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine;dihydrochloride?
The canonical SMILES for 6-(3-aminocyclobutyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine;dihydrochloride is Cl.Cl.Nc1nc(NCCc2ccncc2)cc(C2CC(N)C2)n1.
What is the InChIKey of 6-(3-aminocyclobutyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine;dihydrochloride?
The InChIKey is DLBXIFFSPBFPHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6.2ClH/c16-12-7-11(8-12)13-9-14(21-15(17)20-13)19-6-3-10-1-4-18-5-2-10;;/h1-2,4-5,9,11-12H,3,6-8,16H2,(H3,17,19,20,21);2*1H.
What are the key properties of 6-(3-aminocyclobutyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine;dihydrochloride?
6-(3-aminocyclobutyl)-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine;dihydrochloride has a molecular weight of 357.29 g/mol, XLogP of 2.16, 5 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-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine;dihydrochloride is sourced from PubChem (CID 154903345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).