6-(3-aminocyclobutyl)-N-(2-ethylbutyl)pyrimidin-4-amine;dihydrochloride

C14H26Cl2N4 — CID 154902483

IUPAC6-(3-aminocyclobutyl)-N-(2-ethylbutyl)pyrimidin-4-amine;dihydrochloride
SMILESCCC(CC)CNc1cc(C2CC(N)C2)ncn1.Cl.Cl
InChIInChI=1S/C14H24N4.2ClH/c1-3-10(4-2)8-16-14-7-13(17-9-18-14)11-5-12(15)6-11;;/h7,9-12H,3-6,8,15H2,1-2H3,(H,16,17,18);2*1H
InChIKeyMKTRVOYOMYCJOO-UHFFFAOYSA-N
MW321.30 g/mol
LogP3.37
Rot. Bonds6

About 6-(3-aminocyclobutyl)-N-(2-ethylbutyl)pyrimidin-4-amine;dihydrochloride

6-(3-aminocyclobutyl)-N-(2-ethylbutyl)pyrimidin-4-amine;dihydrochloride (PubChem CID 154902483) has the molecular formula C14H26Cl2N4 and a molecular weight of 321.30 g/mol. Its IUPAC name is 6-(3-aminocyclobutyl)-N-(2-ethylbutyl)pyrimidin-4-amine;dihydrochloride.

Molecular Properties

Compound Name6-(3-aminocyclobutyl)-N-(2-ethylbutyl)pyrimidin-4-amine;dihydrochloride
PubChem CID154902483
Molecular FormulaC14H26Cl2N4
Molecular Weight321.30 g/mol
Exact Mass320.15
IUPAC Name6-(3-aminocyclobutyl)-N-(2-ethylbutyl)pyrimidin-4-amine;dihydrochloride
SMILESCCC(CC)CNc1cc(C2CC(N)C2)ncn1.Cl.Cl
InChIInChI=1S/C14H24N4.2ClH/c1-3-10(4-2)8-16-14-7-13(17-9-18-14)11-5-12(15)6-11;;/h7,9-12H,3-6,8,15H2,1-2H3,(H,16,17,18);2*1H
InChIKeyMKTRVOYOMYCJOO-UHFFFAOYSA-N
XLogP3.37
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.30
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminocyclobutyl)-N-(2-ethylbutyl)pyrimidin-4-amine;dihydrochloride?
The IUPAC name of 6-(3-aminocyclobutyl)-N-(2-ethylbutyl)pyrimidin-4-amine;dihydrochloride (CID 154902483) is 6-(3-aminocyclobutyl)-N-(2-ethylbutyl)pyrimidin-4-amine;dihydrochloride.
What is the SMILES notation for 6-(3-aminocyclobutyl)-N-(2-ethylbutyl)pyrimidin-4-amine;dihydrochloride?
The canonical SMILES for 6-(3-aminocyclobutyl)-N-(2-ethylbutyl)pyrimidin-4-amine;dihydrochloride is CCC(CC)CNc1cc(C2CC(N)C2)ncn1.Cl.Cl.
What is the InChIKey of 6-(3-aminocyclobutyl)-N-(2-ethylbutyl)pyrimidin-4-amine;dihydrochloride?
The InChIKey is MKTRVOYOMYCJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4.2ClH/c1-3-10(4-2)8-16-14-7-13(17-9-18-14)11-5-12(15)6-11;;/h7,9-12H,3-6,8,15H2,1-2H3,(H,16,17,18);2*1H.
What are the key properties of 6-(3-aminocyclobutyl)-N-(2-ethylbutyl)pyrimidin-4-amine;dihydrochloride?
6-(3-aminocyclobutyl)-N-(2-ethylbutyl)pyrimidin-4-amine;dihydrochloride has a molecular weight of 321.30 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminocyclobutyl)-N-(2-ethylbutyl)pyrimidin-4-amine;dihydrochloride is sourced from PubChem (CID 154902483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).