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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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).